1,1,1-Trifluoro-2-propanol

• CAS: 374-01-6
• Catalog Number: ACM374016
• Category: Alcohols
• Molecular Weight: 114.07
• Molecular Formula: C₃H₅F₃O
• Synonyms: 1,1,1-Trifluoroisopropanol, 1,1,1-TRIFLUORO-2-PROPANOL, 1,1,1-Trifluoropropanol-2, NSC3637, 1,1,1-Trifluoropropan-2-ol, 2-Propanol, 1,1,1-trifluoro-, 1-Methyl-2,2,2-trifluoroethanol, 540323_ALDRICH, CID9774, NSC 3637, EINECS 206-773-2, InChI=1/C3H5F3O/c1-2(7)3(4,5)6/h2,7H,1H, 374-01-6, 17556-48-8
• IUPAC Name: 1,1,1-trifluoropropan-2-ol
• Canonical SMILES: CC(C(F)(F)F)O
• InChI Key: GILIYJDBJZWGBG-UHFFFAOYSA-N
• Boiling Point: 67ºC at 760 mmHg
• Flash Point: 38.8ºC
• Density: 1.259 g/mL at 25ºC(lit.)
• EC Number: 206-773-2
• Exact Mass: 114.02900
• Hazard Statements: H315-H319-H335
• H-Bond Acceptor: 4
• H-Bond Donor: 1
• Packing Group: III
• RIDADR: UN 2811 6.1 / PGIII
• Safety Description: 16-26-33-36
• Symbol: GHS07
• WGK Germany: 3

Custom Q&A

What is the molecular formula of 1,1,1-Trifluoro-2-propanol?

The molecular formula of 1,1,1-Trifluoro-2-propanol is C3H5F3O.

What is the molecular weight of 1,1,1-Trifluoro-2-propanol?

The molecular weight of 1,1,1-Trifluoro-2-propanol is 114.07 g/mol.

What is the IUPAC name of 1,1,1-Trifluoro-2-propanol?

The IUPAC name of 1,1,1-Trifluoro-2-propanol is 1,1,1-trifluoropropan-2-ol.

What is the InChIKey of 1,1,1-Trifluoro-2-propanol?

The InChIKey of 1,1,1-Trifluoro-2-propanol is GILIYJDBJZWGBG-UHFFFAOYSA-N.

What is the Canonical SMILES of 1,1,1-Trifluoro-2-propanol?

The Canonical SMILES of 1,1,1-Trifluoro-2-propanol is CC(C(F)(F)F)O.

What is the CAS number of 1,1,1-Trifluoro-2-propanol?

The CAS number of 1,1,1-Trifluoro-2-propanol is 374-01-6.

How many hydrogen bond donor counts does 1,1,1-Trifluoro-2-propanol have?

1,1,1-Trifluoro-2-propanol has 1 hydrogen bond donor count.

What is the topological polar surface area of 1,1,1-Trifluoro-2-propanol?

The topological polar surface area of 1,1,1-Trifluoro-2-propanol is 20.2 Ų.

How many rotatable bond counts does 1,1,1-Trifluoro-2-propanol have?

1,1,1-Trifluoro-2-propanol has 0 rotatable bond counts.

Is 1,1,1-Trifluoro-2-propanol a canonicalized compound?

Yes, 1,1,1-Trifluoro-2-propanol is a canonicalized compound.