(2R)-1,1-difluoro-4-methylpentan-2-ol

C6H12F2O — CID 171795425

IUPAC(2R)-1,1-difluoro-4-methylpentan-2-ol
SMILESCC(C)C[C@@H](O)C(F)F
InChIInChI=1S/C6H12F2O/c1-4(2)3-5(9)6(7)8/h4-6,9H,3H2,1-2H3/t5-/m1/s1
InChIKeyAZVRGGWROSJXNR-RXMQYKEDSA-N
MW138.16 g/mol
LogP1.66
Rot. Bonds3

About (2R)-1,1-difluoro-4-methylpentan-2-ol

(2R)-1,1-difluoro-4-methylpentan-2-ol (PubChem CID 171795425) has the molecular formula C6H12F2O and a molecular weight of 138.16 g/mol. Its IUPAC name is (2R)-1,1-difluoro-4-methylpentan-2-ol.

Molecular Properties

Compound Name(2R)-1,1-difluoro-4-methylpentan-2-ol
PubChem CID171795425
Molecular FormulaC6H12F2O
Molecular Weight138.16 g/mol
Exact Mass138.09
IUPAC Name(2R)-1,1-difluoro-4-methylpentan-2-ol
SMILESCC(C)C[C@@H](O)C(F)F
InChIInChI=1S/C6H12F2O/c1-4(2)3-5(9)6(7)8/h4-6,9H,3H2,1-2H3/t5-/m1/s1
InChIKeyAZVRGGWROSJXNR-RXMQYKEDSA-N
XLogP1.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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

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1,4,4-trifluoro-3-methylbutan-1-ol
CID 142508491
(2R,3S,4S)-6-methylheptane-1,1,2,3,4-pentol
CID 59876270
5-amino-2,7-dimethyloctan-4-ol
CID 54358847
(2S)-1-(dimethylamino)-4-methylpentane-1,2-diol
CID 166674176
8-methylnonane-3,4,5,6-tetrol
CID 88909679
1-cyclopropyl-4-methylpentane-1,2-diol
CID 103456758
5-amino-2-methylheptan-4-ol
CID 21419745
2,6-dimethylheptane-1,3,4-triol
CID 123372157
1,1-difluoro-3-(3-methylbutylamino)propan-2-ol
CID 103578687
(2S)-2-fluoro-4-methylpentan-1-amine
CID 129375468

Frequently Asked Questions

What is the IUPAC name of (2R)-1,1-difluoro-4-methylpentan-2-ol?
The IUPAC name of (2R)-1,1-difluoro-4-methylpentan-2-ol (CID 171795425) is (2R)-1,1-difluoro-4-methylpentan-2-ol.
What is the SMILES notation for (2R)-1,1-difluoro-4-methylpentan-2-ol?
The canonical SMILES for (2R)-1,1-difluoro-4-methylpentan-2-ol is CC(C)C[C@@H](O)C(F)F.
What is the InChIKey of (2R)-1,1-difluoro-4-methylpentan-2-ol?
The InChIKey is AZVRGGWROSJXNR-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H12F2O/c1-4(2)3-5(9)6(7)8/h4-6,9H,3H2,1-2H3/t5-/m1/s1.
What are the key properties of (2R)-1,1-difluoro-4-methylpentan-2-ol?
(2R)-1,1-difluoro-4-methylpentan-2-ol has a molecular weight of 138.16 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,1-difluoro-4-methylpentan-2-ol is sourced from PubChem (CID 171795425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).