(2S)-3-(dimethylamino)-1,1,1-trifluoropropan-2-ol

C5H10F3NO — CID 71374204

IUPAC(2S)-3-(dimethylamino)-1,1,1-trifluoropropan-2-ol
SMILESCN(C)C[C@H](O)C(F)(F)F
InChIInChI=1S/C5H10F3NO/c1-9(2)3-4(10)5(6,7)8/h4,10H,3H2,1-2H3/t4-/m0/s1
InChIKeyGXHSCUOHGRZZNX-BYPYZUCNSA-N
MW157.13 g/mol
LogP0.47
Rot. Bonds2

About (2S)-3-(dimethylamino)-1,1,1-trifluoropropan-2-ol

(2S)-3-(dimethylamino)-1,1,1-trifluoropropan-2-ol (PubChem CID 71374204) has the molecular formula C5H10F3NO and a molecular weight of 157.13 g/mol. Its IUPAC name is (2S)-3-(dimethylamino)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name(2S)-3-(dimethylamino)-1,1,1-trifluoropropan-2-ol
PubChem CID71374204
Molecular FormulaC5H10F3NO
Molecular Weight157.13 g/mol
Exact Mass157.07
IUPAC Name(2S)-3-(dimethylamino)-1,1,1-trifluoropropan-2-ol
SMILESCN(C)C[C@H](O)C(F)(F)F
InChIInChI=1S/C5H10F3NO/c1-9(2)3-4(10)5(6,7)8/h4,10H,3H2,1-2H3/t4-/m0/s1
InChIKeyGXHSCUOHGRZZNX-BYPYZUCNSA-N
XLogP0.47
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.13
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-(dimethylamino)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of (2S)-3-(dimethylamino)-1,1,1-trifluoropropan-2-ol (CID 71374204) is (2S)-3-(dimethylamino)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for (2S)-3-(dimethylamino)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for (2S)-3-(dimethylamino)-1,1,1-trifluoropropan-2-ol is CN(C)C[C@H](O)C(F)(F)F.
What is the InChIKey of (2S)-3-(dimethylamino)-1,1,1-trifluoropropan-2-ol?
The InChIKey is GXHSCUOHGRZZNX-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H10F3NO/c1-9(2)3-4(10)5(6,7)8/h4,10H,3H2,1-2H3/t4-/m0/s1.
What are the key properties of (2S)-3-(dimethylamino)-1,1,1-trifluoropropan-2-ol?
(2S)-3-(dimethylamino)-1,1,1-trifluoropropan-2-ol has a molecular weight of 157.13 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(dimethylamino)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 71374204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).