3,3-difluoro-2,2-dimethylpentan-1-ol

C7H14F2O — CID 122163823

IUPAC3,3-difluoro-2,2-dimethylpentan-1-ol
SMILESCCC(F)(F)C(C)(C)CO
InChIInChI=1S/C7H14F2O/c1-4-7(8,9)6(2,3)5-10/h10H,4-5H2,1-3H3
InChIKeyAUJKTRLKFOYXCV-UHFFFAOYSA-N
MW152.18 g/mol
LogP2.05
Rot. Bonds3

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

3,3-difluoro-2,2-dimethylpentan-1-ol (PubChem CID 122163823) has the molecular formula C7H14F2O and a molecular weight of 152.18 g/mol. Its IUPAC name is 3,3-difluoro-2,2-dimethylpentan-1-ol.

Molecular Properties

Compound Name3,3-difluoro-2,2-dimethylpentan-1-ol
PubChem CID122163823
Molecular FormulaC7H14F2O
Molecular Weight152.18 g/mol
Exact Mass152.10
IUPAC Name3,3-difluoro-2,2-dimethylpentan-1-ol
SMILESCCC(F)(F)C(C)(C)CO
InChIInChI=1S/C7H14F2O/c1-4-7(8,9)6(2,3)5-10/h10H,4-5H2,1-3H3
InChIKeyAUJKTRLKFOYXCV-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 3,3-difluoro-2,2-dimethylpentan-1-ol?
The IUPAC name of 3,3-difluoro-2,2-dimethylpentan-1-ol (CID 122163823) is 3,3-difluoro-2,2-dimethylpentan-1-ol.
What is the SMILES notation for 3,3-difluoro-2,2-dimethylpentan-1-ol?
The canonical SMILES for 3,3-difluoro-2,2-dimethylpentan-1-ol is CCC(F)(F)C(C)(C)CO.
What is the InChIKey of 3,3-difluoro-2,2-dimethylpentan-1-ol?
The InChIKey is AUJKTRLKFOYXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2O/c1-4-7(8,9)6(2,3)5-10/h10H,4-5H2,1-3H3.
What are the key properties of 3,3-difluoro-2,2-dimethylpentan-1-ol?
3,3-difluoro-2,2-dimethylpentan-1-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 3,3-difluoro-2,2-dimethylpentan-1-ol is sourced from PubChem (CID 122163823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).