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

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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).