(2S)-1,1,1-trifluoropropan-2-ol

C3H5F3O — CID 6999971

IUPAC(2S)-1,1,1-trifluoropropan-2-ol
SMILESC[C@H](O)C(F)(F)F
InChIInChI=1S/C3H5F3O/c1-2(7)3(4,5)6/h2,7H,1H3/t2-/m0/s1
InChIKeyGILIYJDBJZWGBG-REOHCLBHSA-N
MW114.07 g/mol
LogP0.93
Rot. Bonds

About (2S)-1,1,1-trifluoropropan-2-ol

(2S)-1,1,1-trifluoropropan-2-ol (PubChem CID 6999971) has the molecular formula C3H5F3O and a molecular weight of 114.07 g/mol. Its IUPAC name is (2S)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name(2S)-1,1,1-trifluoropropan-2-ol
PubChem CID6999971
Molecular FormulaC3H5F3O
Molecular Weight114.07 g/mol
Exact Mass114.03
IUPAC Name(2S)-1,1,1-trifluoropropan-2-ol
SMILESC[C@H](O)C(F)(F)F
InChIInChI=1S/C3H5F3O/c1-2(7)3(4,5)6/h2,7H,1H3/t2-/m0/s1
InChIKeyGILIYJDBJZWGBG-REOHCLBHSA-N
XLogP0.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.07
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of (2S)-1,1,1-trifluoropropan-2-ol (CID 6999971) is (2S)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for (2S)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for (2S)-1,1,1-trifluoropropan-2-ol is C[C@H](O)C(F)(F)F.
What is the InChIKey of (2S)-1,1,1-trifluoropropan-2-ol?
The InChIKey is GILIYJDBJZWGBG-REOHCLBHSA-N. The full InChI is InChI=1S/C3H5F3O/c1-2(7)3(4,5)6/h2,7H,1H3/t2-/m0/s1.
What are the key properties of (2S)-1,1,1-trifluoropropan-2-ol?
(2S)-1,1,1-trifluoropropan-2-ol has a molecular weight of 114.07 g/mol, XLogP of 0.93, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 6999971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).