1,1-difluoro-2,4-dimethylpentan-2-ol

C7H14F2O — CID 80605708

IUPAC1,1-difluoro-2,4-dimethylpentan-2-ol
SMILESCC(C)CC(C)(O)C(F)F
InChIInChI=1S/C7H14F2O/c1-5(2)4-7(3,10)6(8)9/h5-6,10H,4H2,1-3H3
InChIKeyPKDCYLXMZYUGHO-UHFFFAOYSA-N
MW152.18 g/mol
LogP2.05
Rot. Bonds3

About 1,1-difluoro-2,4-dimethylpentan-2-ol

1,1-difluoro-2,4-dimethylpentan-2-ol (PubChem CID 80605708) has the molecular formula C7H14F2O and a molecular weight of 152.18 g/mol. Its IUPAC name is 1,1-difluoro-2,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-2,4-dimethylpentan-2-ol
PubChem CID80605708
Molecular FormulaC7H14F2O
Molecular Weight152.18 g/mol
Exact Mass152.10
IUPAC Name1,1-difluoro-2,4-dimethylpentan-2-ol
SMILESCC(C)CC(C)(O)C(F)F
InChIInChI=1S/C7H14F2O/c1-5(2)4-7(3,10)6(8)9/h5-6,10H,4H2,1-3H3
InChIKeyPKDCYLXMZYUGHO-UHFFFAOYSA-N
XLogP2.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.18
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1,1-difluoro-2,4-dimethylpentan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1-difluoro-2,5-dimethylhexan-2-ol
CID 80605590
3-hydroxy-2,3,5-trimethylhexanoic acid
CID 62399218
1,1,4,4-tetrafluoro-2,5-dimethylhexane-2,5-diol
CID 91595420
methyl 3-hydroxy-2,3,5-trimethylhexanoate
CID 62393814
(1,1,5,5-tetrafluoro-4-hydroxy-4-methylpentan-2-yl) 2-methylbutanoate
CID 126549876
2-hydroperoxy-4-methylpentan-2-ol
CID 71403979
3-tert-butyl-3,5-dimethylhexane-2,2-diol
CID 89484377
2,6-dimethyl-4,4-bis(2-methylpropyl)heptane-2,6-diol
CID 15152905
acetylene;2,4,7,9-tetramethyldec-5-yne-4,7-diol
CID 159479828
1-amino-2,4-dimethylpentan-2-ol;hydrochloride
CID 137460110
3,3-difluoro-2,2,5-trimethylhexane
CID 90268421
2,2-difluoro-3,3,5-trimethylhexane
CID 157101108

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-2,4-dimethylpentan-2-ol?
The IUPAC name of 1,1-difluoro-2,4-dimethylpentan-2-ol (CID 80605708) is 1,1-difluoro-2,4-dimethylpentan-2-ol.
What is the SMILES notation for 1,1-difluoro-2,4-dimethylpentan-2-ol?
The canonical SMILES for 1,1-difluoro-2,4-dimethylpentan-2-ol is CC(C)CC(C)(O)C(F)F.
What is the InChIKey of 1,1-difluoro-2,4-dimethylpentan-2-ol?
The InChIKey is PKDCYLXMZYUGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2O/c1-5(2)4-7(3,10)6(8)9/h5-6,10H,4H2,1-3H3.
What are the key properties of 1,1-difluoro-2,4-dimethylpentan-2-ol?
1,1-difluoro-2,4-dimethylpentan-2-ol has a molecular weight of 152.18 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2,4-dimethylpentan-2-ol is sourced from PubChem (CID 80605708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).