(2S)-3,3-dimethyl-2-(2,2,2-trifluoroethylamino)butan-1-ol

C8H16F3NO — CID 156694086

IUPAC(2S)-3,3-dimethyl-2-(2,2,2-trifluoroethylamino)butan-1-ol
SMILESCC(C)(C)[C@@H](CO)NCC(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-7(2,3)6(4-13)12-5-8(9,10)11/h6,12-13H,4-5H2,1-3H3/t6-/m1/s1
InChIKeyUFNVOAIRIWFLJA-ZCFIWIBFSA-N
MW199.22 g/mol
LogP1.55
Rot. Bonds3

About (2S)-3,3-dimethyl-2-(2,2,2-trifluoroethylamino)butan-1-ol

(2S)-3,3-dimethyl-2-(2,2,2-trifluoroethylamino)butan-1-ol (PubChem CID 156694086) has the molecular formula C8H16F3NO and a molecular weight of 199.22 g/mol. Its IUPAC name is (2S)-3,3-dimethyl-2-(2,2,2-trifluoroethylamino)butan-1-ol.

Molecular Properties

Compound Name(2S)-3,3-dimethyl-2-(2,2,2-trifluoroethylamino)butan-1-ol
PubChem CID156694086
Molecular FormulaC8H16F3NO
Molecular Weight199.22 g/mol
Exact Mass199.12
IUPAC Name(2S)-3,3-dimethyl-2-(2,2,2-trifluoroethylamino)butan-1-ol
SMILESCC(C)(C)[C@@H](CO)NCC(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-7(2,3)6(4-13)12-5-8(9,10)11/h6,12-13H,4-5H2,1-3H3/t6-/m1/s1
InChIKeyUFNVOAIRIWFLJA-ZCFIWIBFSA-N
XLogP1.55
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-3,3-dimethyl-2-(2,2,2-trifluoroethylamino)butan-1-ol?
The IUPAC name of (2S)-3,3-dimethyl-2-(2,2,2-trifluoroethylamino)butan-1-ol (CID 156694086) is (2S)-3,3-dimethyl-2-(2,2,2-trifluoroethylamino)butan-1-ol.
What is the SMILES notation for (2S)-3,3-dimethyl-2-(2,2,2-trifluoroethylamino)butan-1-ol?
The canonical SMILES for (2S)-3,3-dimethyl-2-(2,2,2-trifluoroethylamino)butan-1-ol is CC(C)(C)[C@@H](CO)NCC(F)(F)F.
What is the InChIKey of (2S)-3,3-dimethyl-2-(2,2,2-trifluoroethylamino)butan-1-ol?
The InChIKey is UFNVOAIRIWFLJA-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H16F3NO/c1-7(2,3)6(4-13)12-5-8(9,10)11/h6,12-13H,4-5H2,1-3H3/t6-/m1/s1.
What are the key properties of (2S)-3,3-dimethyl-2-(2,2,2-trifluoroethylamino)butan-1-ol?
(2S)-3,3-dimethyl-2-(2,2,2-trifluoroethylamino)butan-1-ol has a molecular weight of 199.22 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3,3-dimethyl-2-(2,2,2-trifluoroethylamino)butan-1-ol is sourced from PubChem (CID 156694086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).