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

C6H12F2O — CID 58044683

IUPAC2,2-difluoro-3,3-dimethylbutan-1-ol
SMILESCC(C)(C)C(F)(F)CO
InChIInChI=1S/C6H12F2O/c1-5(2,3)6(7,8)4-9/h9H,4H2,1-3H3
InChIKeyADMGKUVHYXJKSX-UHFFFAOYSA-N
MW138.16 g/mol
LogP1.66
Rot. Bonds1

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

2,2-difluoro-3,3-dimethylbutan-1-ol (PubChem CID 58044683) has the molecular formula C6H12F2O and a molecular weight of 138.16 g/mol. Its IUPAC name is 2,2-difluoro-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3,3-dimethylbutan-1-ol
PubChem CID58044683
Molecular FormulaC6H12F2O
Molecular Weight138.16 g/mol
Exact Mass138.09
IUPAC Name2,2-difluoro-3,3-dimethylbutan-1-ol
SMILESCC(C)(C)C(F)(F)CO
InChIInChI=1S/C6H12F2O/c1-5(2,3)6(7,8)4-9/h9H,4H2,1-3H3
InChIKeyADMGKUVHYXJKSX-UHFFFAOYSA-N
XLogP1.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
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-Dimethyl-1-butanol
CID 12233
2,2-Dimethylbutanol
CID 14454
2,2-Difluorobutan-1-ol
CID 21880591
3,3-Difluorobutan-1-ol
CID 53831960
3,3,3-Trifluoro-2,2-dimethylpropan-1-ol
CID 59951355
4,4,4-Trifluoro-3-methylbutan-1-ol
CID 274355
4,4,4-Trifluoro-2-methylbutan-1-ol
CID 2775532
1,1,1-Trifluoro-3,3-dimethylbutan-2-ol
CID 10866578
(2,2-Difluoro-1-methylcyclopropyl)methanol
CID 14695233
4,4,4-Trifluoro-3,3-bis(trifluoromethyl)-1-butanol
CID 2782627
2,2-Difluoro-3-methylbutan-1-ol
CID 57675516
3-Fluoro-3-methylbutan-1-ol
CID 59708471

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3,3-dimethylbutan-1-ol?
The IUPAC name of 2,2-difluoro-3,3-dimethylbutan-1-ol (CID 58044683) is 2,2-difluoro-3,3-dimethylbutan-1-ol.
What is the SMILES notation for 2,2-difluoro-3,3-dimethylbutan-1-ol?
The canonical SMILES for 2,2-difluoro-3,3-dimethylbutan-1-ol is CC(C)(C)C(F)(F)CO.
What is the InChIKey of 2,2-difluoro-3,3-dimethylbutan-1-ol?
The InChIKey is ADMGKUVHYXJKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2O/c1-5(2,3)6(7,8)4-9/h9H,4H2,1-3H3.
What are the key properties of 2,2-difluoro-3,3-dimethylbutan-1-ol?
2,2-difluoro-3,3-dimethylbutan-1-ol has a molecular weight of 138.16 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 58044683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).