(2R)-2-(fluoromethyl)-4-methylpentanoic acid

C7H13FO2 — CID 129304901

IUPAC(2R)-2-(fluoromethyl)-4-methylpentanoic acid
SMILESCC(C)C[C@@H](CF)C(=O)O
InChIInChI=1S/C7H13FO2/c1-5(2)3-6(4-8)7(9)10/h5-6H,3-4H2,1-2H3,(H,9,10)/t6-/m0/s1
InChIKeySVRZBYDIZHPWSX-LURJTMIESA-N
MW148.18 g/mol
LogP1.70
Rot. Bonds4

About (2R)-2-(fluoromethyl)-4-methylpentanoic acid

(2R)-2-(fluoromethyl)-4-methylpentanoic acid (PubChem CID 129304901) has the molecular formula C7H13FO2 and a molecular weight of 148.18 g/mol. Its IUPAC name is (2R)-2-(fluoromethyl)-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-(fluoromethyl)-4-methylpentanoic acid
PubChem CID129304901
Molecular FormulaC7H13FO2
Molecular Weight148.18 g/mol
Exact Mass148.09
IUPAC Name(2R)-2-(fluoromethyl)-4-methylpentanoic acid
SMILESCC(C)C[C@@H](CF)C(=O)O
InChIInChI=1S/C7H13FO2/c1-5(2)3-6(4-8)7(9)10/h5-6H,3-4H2,1-2H3,(H,9,10)/t6-/m0/s1
InChIKeySVRZBYDIZHPWSX-LURJTMIESA-N
XLogP1.70
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.18
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

alumane;4-methyl-2-(2-methylpropyl)pentanoic acid
CID 173457515
(2R)-4-methyl-2-(2,2,2-trifluoroethyl)pentanoic acid
CID 129371887
4-methyl-2-(2-methylpropoxymethyl)pentanoic acid
CID 23168896
(2R)-2-(2-methylpropyl)-4-oxopentanoic acid
CID 59074115
(2S)-2-(2-aminoethyl)-4-methylpentanoic acid;hydrochloride
CID 120999853
4-methyl-2-(phosphonomethyl)pentanoic acid
CID 151960225
2,8-dimethyl-4,6-bis(2-methylpropyl)nonan-5-one
CID 174839184
2-(ethoxycarbonyloxymethyl)-4-methylpentanoic acid
CID 122517226
2-(acetylsulfanylmethyl)-4-methylpentanoic acid
CID 13017557
4-hydroxy-6-methyl-2-(2-methylpropyl)-5-oxoheptanoic acid
CID 58193304
2-(2-ethoxy-2-oxoethyl)-4-methylpentanoic acid
CID 14303036
4-methyl-2-[(3-methylbutylamino)methyl]pentanoic acid
CID 122127985

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(fluoromethyl)-4-methylpentanoic acid?
The IUPAC name of (2R)-2-(fluoromethyl)-4-methylpentanoic acid (CID 129304901) is (2R)-2-(fluoromethyl)-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-(fluoromethyl)-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-(fluoromethyl)-4-methylpentanoic acid is CC(C)C[C@@H](CF)C(=O)O.
What is the InChIKey of (2R)-2-(fluoromethyl)-4-methylpentanoic acid?
The InChIKey is SVRZBYDIZHPWSX-LURJTMIESA-N. The full InChI is InChI=1S/C7H13FO2/c1-5(2)3-6(4-8)7(9)10/h5-6H,3-4H2,1-2H3,(H,9,10)/t6-/m0/s1.
What are the key properties of (2R)-2-(fluoromethyl)-4-methylpentanoic acid?
(2R)-2-(fluoromethyl)-4-methylpentanoic acid has a molecular weight of 148.18 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(fluoromethyl)-4-methylpentanoic acid is sourced from PubChem (CID 129304901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).