2,3-dimethyl-2-(trifluoromethyl)butan-1-ol

C7H13F3O — CID 134604983

IUPAC2,3-dimethyl-2-(trifluoromethyl)butan-1-ol
SMILESCC(C)C(C)(CO)C(F)(F)F
InChIInChI=1S/C7H13F3O/c1-5(2)6(3,4-11)7(8,9)10/h5,11H,4H2,1-3H3
InChIKeyWKFHLTNGKFZKAL-UHFFFAOYSA-N
MW170.17 g/mol
LogP2.20
Rot. Bonds2

About 2,3-dimethyl-2-(trifluoromethyl)butan-1-ol

2,3-dimethyl-2-(trifluoromethyl)butan-1-ol (PubChem CID 134604983) has the molecular formula C7H13F3O and a molecular weight of 170.17 g/mol. Its IUPAC name is 2,3-dimethyl-2-(trifluoromethyl)butan-1-ol.

Molecular Properties

Compound Name2,3-dimethyl-2-(trifluoromethyl)butan-1-ol
PubChem CID134604983
Molecular FormulaC7H13F3O
Molecular Weight170.17 g/mol
Exact Mass170.09
IUPAC Name2,3-dimethyl-2-(trifluoromethyl)butan-1-ol
SMILESCC(C)C(C)(CO)C(F)(F)F
InChIInChI=1S/C7H13F3O/c1-5(2)6(3,4-11)7(8,9)10/h5,11H,4H2,1-3H3
InChIKeyWKFHLTNGKFZKAL-UHFFFAOYSA-N
XLogP2.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-dimethyl-3-(trifluoromethyl)pentane
CID 129215911
2,2,4,5-tetramethyl-4-(trifluoromethyl)hexane
CID 162570154
1,1,1,5-tetrafluoro-2,4,5,6-tetramethyl-4-propan-2-yl-2-(trifluoromethyl)heptane
CID 162585393
3,3,3-trifluoro-2,2-dimethylpropan-1-ol
CID 59951355
2-methyl-2-(trifluoromethyl)propane-1,3-diol
CID 118400148
2-methyl-2-(trifluoromethyl)butane-1,1-diol
CID 162587850
2,2-difluoropropan-1-ol;ethanol;1,1,1-trifluoropropan-2-ol
CID 161162971
3,3,3-trifluoro-2-methyl-2-(2-methylpropylamino)propan-1-ol
CID 106523433
(2S)-2-amino-3,3,3-trifluoro-2-methylpropan-1-ol
CID 96565633
2,2-dimethylpropan-1-ol;ethane;1,1,1-trifluoroethane
CID 159215463
4,4-difluoro-2-methyl-2-propan-2-ylbutan-1-ol
CID 170599383
2-ethyl-2-fluoro-4-methylpentan-1-ol
CID 160606939

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-2-(trifluoromethyl)butan-1-ol?
The IUPAC name of 2,3-dimethyl-2-(trifluoromethyl)butan-1-ol (CID 134604983) is 2,3-dimethyl-2-(trifluoromethyl)butan-1-ol.
What is the SMILES notation for 2,3-dimethyl-2-(trifluoromethyl)butan-1-ol?
The canonical SMILES for 2,3-dimethyl-2-(trifluoromethyl)butan-1-ol is CC(C)C(C)(CO)C(F)(F)F.
What is the InChIKey of 2,3-dimethyl-2-(trifluoromethyl)butan-1-ol?
The InChIKey is WKFHLTNGKFZKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3O/c1-5(2)6(3,4-11)7(8,9)10/h5,11H,4H2,1-3H3.
What are the key properties of 2,3-dimethyl-2-(trifluoromethyl)butan-1-ol?
2,3-dimethyl-2-(trifluoromethyl)butan-1-ol has a molecular weight of 170.17 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-2-(trifluoromethyl)butan-1-ol is sourced from PubChem (CID 134604983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).