(2R)-4,4-difluoro-2-methylpentanoic acid

C6H10F2O2 — CID 156789470

IUPAC(2R)-4,4-difluoro-2-methylpentanoic acid
SMILESC[C@H](CC(C)(F)F)C(=O)O
InChIInChI=1S/C6H10F2O2/c1-4(5(9)10)3-6(2,7)8/h4H,3H2,1-2H3,(H,9,10)/t4-/m1/s1
InChIKeyJXXNCQQYDYGIET-SCSAIBSYSA-N
MW152.14 g/mol
LogP1.75
Rot. Bonds3

About (2R)-4,4-difluoro-2-methylpentanoic acid

(2R)-4,4-difluoro-2-methylpentanoic acid (PubChem CID 156789470) has the molecular formula C6H10F2O2 and a molecular weight of 152.14 g/mol. Its IUPAC name is (2R)-4,4-difluoro-2-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-4,4-difluoro-2-methylpentanoic acid
PubChem CID156789470
Molecular FormulaC6H10F2O2
Molecular Weight152.14 g/mol
Exact Mass152.06
IUPAC Name(2R)-4,4-difluoro-2-methylpentanoic acid
SMILESC[C@H](CC(C)(F)F)C(=O)O
InChIInChI=1S/C6H10F2O2/c1-4(5(9)10)3-6(2,7)8/h4H,3H2,1-2H3,(H,9,10)/t4-/m1/s1
InChIKeyJXXNCQQYDYGIET-SCSAIBSYSA-N
XLogP1.75
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.14
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-4,4-difluoro-2-methylbutanoic acid
CID 174293219
(2R)-4-hydroxy-2,4-dimethylpentanoic acid
CID 168758888
butane-1,1,1,3-tetracarboxylic acid
CID 91030692
4-amino-2,4-dimethylpentanoic acid
CID 20501045
2-amino-4,4-difluoropentanoic acid;hydrochloride
CID 87665395
2-amino-2,4-dimethylpentanedioic acid
CID 87224787
(4R)-4-hydroxy-2,4,6-trimethylheptanoic acid
CID 122394912
(2S)-4,4-difluoro-2-isocyanopentanoic acid
CID 151819277
5-formyl-2,4,4-trimethylheptanoic acid
CID 58489206
4-(hydroxymethyl)-2,4-dimethylhexanoic acid
CID 20734605
(2S)-2,4,4-trimethyl-5-nitrosopentanoic acid
CID 174891106
(Z)-2-(2,2-difluoropropyl)pent-3-enoic acid
CID 10261642

Frequently Asked Questions

What is the IUPAC name of (2R)-4,4-difluoro-2-methylpentanoic acid?
The IUPAC name of (2R)-4,4-difluoro-2-methylpentanoic acid (CID 156789470) is (2R)-4,4-difluoro-2-methylpentanoic acid.
What is the SMILES notation for (2R)-4,4-difluoro-2-methylpentanoic acid?
The canonical SMILES for (2R)-4,4-difluoro-2-methylpentanoic acid is C[C@H](CC(C)(F)F)C(=O)O.
What is the InChIKey of (2R)-4,4-difluoro-2-methylpentanoic acid?
The InChIKey is JXXNCQQYDYGIET-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H10F2O2/c1-4(5(9)10)3-6(2,7)8/h4H,3H2,1-2H3,(H,9,10)/t4-/m1/s1.
What are the key properties of (2R)-4,4-difluoro-2-methylpentanoic acid?
(2R)-4,4-difluoro-2-methylpentanoic acid has a molecular weight of 152.14 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4,4-difluoro-2-methylpentanoic acid is sourced from PubChem (CID 156789470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).