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

C3H5F3O — CID 87133551

IUPAC(2S)-1,1,2-trifluoropropan-2-ol
SMILESC[C@](O)(F)C(F)F
InChIInChI=1S/C3H5F3O/c1-3(6,7)2(4)5/h2,7H,1H3/t3-/m1/s1
InChIKeyICQCKUWOLNVWEA-GSVOUGTGSA-N
MW114.07 g/mol
LogP0.93
Rot. Bonds1

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

(2S)-1,1,2-trifluoropropan-2-ol (PubChem CID 87133551) has the molecular formula C3H5F3O and a molecular weight of 114.07 g/mol. Its IUPAC name is (2S)-1,1,2-trifluoropropan-2-ol.

Molecular Properties

Compound Name(2S)-1,1,2-trifluoropropan-2-ol
PubChem CID87133551
Molecular FormulaC3H5F3O
Molecular Weight114.07 g/mol
Exact Mass114.03
IUPAC Name(2S)-1,1,2-trifluoropropan-2-ol
SMILESC[C@](O)(F)C(F)F
InChIInChI=1S/C3H5F3O/c1-3(6,7)2(4)5/h2,7H,1H3/t3-/m1/s1
InChIKeyICQCKUWOLNVWEA-GSVOUGTGSA-N
XLogP0.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
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)-1,1,2-trifluoropropan-2-ol?
The IUPAC name of (2S)-1,1,2-trifluoropropan-2-ol (CID 87133551) is (2S)-1,1,2-trifluoropropan-2-ol.
What is the SMILES notation for (2S)-1,1,2-trifluoropropan-2-ol?
The canonical SMILES for (2S)-1,1,2-trifluoropropan-2-ol is C[C@](O)(F)C(F)F.
What is the InChIKey of (2S)-1,1,2-trifluoropropan-2-ol?
The InChIKey is ICQCKUWOLNVWEA-GSVOUGTGSA-N. The full InChI is InChI=1S/C3H5F3O/c1-3(6,7)2(4)5/h2,7H,1H3/t3-/m1/s1.
What are the key properties of (2S)-1,1,2-trifluoropropan-2-ol?
(2S)-1,1,2-trifluoropropan-2-ol has a molecular weight of 114.07 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,1,2-trifluoropropan-2-ol is sourced from PubChem (CID 87133551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).