3,3-difluoro-2,2-dimethylbutan-1-ol

C6H12F2O — CID 118052047

IUPAC3,3-difluoro-2,2-dimethylbutan-1-ol
SMILESCC(F)(F)C(C)(C)CO
InChIInChI=1S/C6H12F2O/c1-5(2,4-9)6(3,7)8/h9H,4H2,1-3H3
InChIKeySFXCMNDWWYEUHB-UHFFFAOYSA-N
MW138.16 g/mol
LogP1.66
Rot. Bonds2

About 3,3-difluoro-2,2-dimethylbutan-1-ol

3,3-difluoro-2,2-dimethylbutan-1-ol (PubChem CID 118052047) has the molecular formula C6H12F2O and a molecular weight of 138.16 g/mol. Its IUPAC name is 3,3-difluoro-2,2-dimethylbutan-1-ol.

Molecular Properties

Compound Name3,3-difluoro-2,2-dimethylbutan-1-ol
PubChem CID118052047
Molecular FormulaC6H12F2O
Molecular Weight138.16 g/mol
Exact Mass138.09
IUPAC Name3,3-difluoro-2,2-dimethylbutan-1-ol
SMILESCC(F)(F)C(C)(C)CO
InChIInChI=1S/C6H12F2O/c1-5(2,4-9)6(3,7)8/h9H,4H2,1-3H3
InChIKeySFXCMNDWWYEUHB-UHFFFAOYSA-N
XLogP1.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.16
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,3,3-trifluoro-2,2-dimethylpropan-1-ol
CID 59951355
2,2-dimethylpropan-1-ol;ethane;1,1,1-trifluoroethane
CID 159215463
2,2,3,3,4,4-hexamethylpentan-1-ol
CID 59119754
2-methyl-2-(trifluoromethyl)propane-1,3-diol
CID 118400148
2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorononan-1-ol
CID 91174488
3,3-difluoro-2,2-dimethylbutane-1-sulfinic acid
CID 165450389
2-methoxy-2-methylpropane;2,2,2-trifluoroethanol
CID 156562872
2-(hydroxymethyl)-2,3,3-trimethylpentane-1,5-diol
CID 175377190
2,2-difluoro-3,3,5-trimethylhexane
CID 157101108
3-ethyl-2,2-dimethylpentane-1,3-diol
CID 130124646
(2S)-2-amino-3,3,3-trifluoro-2-methylpropan-1-ol
CID 96565633
alumane;2,2-dimethylpropan-1-ol
CID 174479314

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2,2-dimethylbutan-1-ol?
The IUPAC name of 3,3-difluoro-2,2-dimethylbutan-1-ol (CID 118052047) is 3,3-difluoro-2,2-dimethylbutan-1-ol.
What is the SMILES notation for 3,3-difluoro-2,2-dimethylbutan-1-ol?
The canonical SMILES for 3,3-difluoro-2,2-dimethylbutan-1-ol is CC(F)(F)C(C)(C)CO.
What is the InChIKey of 3,3-difluoro-2,2-dimethylbutan-1-ol?
The InChIKey is SFXCMNDWWYEUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2O/c1-5(2,4-9)6(3,7)8/h9H,4H2,1-3H3.
What are the key properties of 3,3-difluoro-2,2-dimethylbutan-1-ol?
3,3-difluoro-2,2-dimethylbutan-1-ol has a molecular weight of 138.16 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-2,2-dimethylbutan-1-ol is sourced from PubChem (CID 118052047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).