(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-ol

C6H11F3O — CID 59192728

IUPAC(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-ol
SMILESCC(C)(C)[C@H](O)C(F)(F)F
InChIInChI=1S/C6H11F3O/c1-5(2,3)4(10)6(7,8)9/h4,10H,1-3H3/t4-/m0/s1
InChIKeyWNVPWDLBCRTOGW-BYPYZUCNSA-N
MW156.15 g/mol
LogP1.96
Rot. Bonds

About (2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-ol

(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-ol (PubChem CID 59192728) has the molecular formula C6H11F3O and a molecular weight of 156.15 g/mol. Its IUPAC name is (2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-ol
PubChem CID59192728
Molecular FormulaC6H11F3O
Molecular Weight156.15 g/mol
Exact Mass156.08
IUPAC Name(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-ol
SMILESCC(C)(C)[C@H](O)C(F)(F)F
InChIInChI=1S/C6H11F3O/c1-5(2,3)4(10)6(7,8)9/h4,10H,1-3H3/t4-/m0/s1
InChIKeyWNVPWDLBCRTOGW-BYPYZUCNSA-N
XLogP1.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 51.96
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-trifluoro-3,3-dimethylbutan-2-ol?
The IUPAC name of (2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-ol (CID 59192728) is (2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-ol.
What is the SMILES notation for (2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-ol?
The canonical SMILES for (2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-ol is CC(C)(C)[C@H](O)C(F)(F)F.
What is the InChIKey of (2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-ol?
The InChIKey is WNVPWDLBCRTOGW-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H11F3O/c1-5(2,3)4(10)6(7,8)9/h4,10H,1-3H3/t4-/m0/s1.
What are the key properties of (2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-ol?
(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-ol has a molecular weight of 156.15 g/mol, XLogP of 1.96, 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-trifluoro-3,3-dimethylbutan-2-ol is sourced from PubChem (CID 59192728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).