2-fluoro-5-methoxy-3-methylpentanoic acid

C7H13FO3 — CID 81357953

IUPAC2-fluoro-5-methoxy-3-methylpentanoic acid
SMILESCOCCC(C)C(F)C(=O)O
InChIInChI=1S/C7H13FO3/c1-5(3-4-11-2)6(8)7(9)10/h5-6H,3-4H2,1-2H3,(H,9,10)
InChIKeyKRCSXSTURXVQSW-UHFFFAOYSA-N
MW164.18 g/mol
LogP1.08
Rot. Bonds5

About 2-fluoro-5-methoxy-3-methylpentanoic acid

2-fluoro-5-methoxy-3-methylpentanoic acid (PubChem CID 81357953) has the molecular formula C7H13FO3 and a molecular weight of 164.18 g/mol. Its IUPAC name is 2-fluoro-5-methoxy-3-methylpentanoic acid.

Molecular Properties

Compound Name2-fluoro-5-methoxy-3-methylpentanoic acid
PubChem CID81357953
Molecular FormulaC7H13FO3
Molecular Weight164.18 g/mol
Exact Mass164.08
IUPAC Name2-fluoro-5-methoxy-3-methylpentanoic acid
SMILESCOCCC(C)C(F)C(=O)O
InChIInChI=1S/C7H13FO3/c1-5(3-4-11-2)6(8)7(9)10/h5-6H,3-4H2,1-2H3,(H,9,10)
InChIKeyKRCSXSTURXVQSW-UHFFFAOYSA-N
XLogP1.08
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.18
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methoxy-3,4-dimethylhexanoic acid
CID 116500421
azane;4-methoxy-2-methylbutanoic acid
CID 174560200
4-amino-2-fluoro-3-methylbutanoic acid
CID 138987586
4-methoxy-2,3-dimethylbutanoic acid
CID 79418013
carbonic acid;3-chloro-1-methoxybutane
CID 86749865
dipropan-2-yl 2-(4-methoxybutan-2-yl)propanedioate
CID 116500640
2-(2-methoxyethyl)butanedioic acid
CID 13255587
3-methoxy-2-(4-methoxybutan-2-ylamino)propanoic acid
CID 103254849
2-(2-methoxyethyl)-8-methylnonanoic acid
CID 134561525
2-(aminomethyl)-4-methoxybutanoic acid;hydrochloride
CID 66545696
1,1-difluoro-5-methoxy-N,3-dimethylpentan-2-amine
CID 103517156
2-[4-methoxybutan-2-yl(methyl)amino]acetic acid
CID 65056386

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methoxy-3-methylpentanoic acid?
The IUPAC name of 2-fluoro-5-methoxy-3-methylpentanoic acid (CID 81357953) is 2-fluoro-5-methoxy-3-methylpentanoic acid.
What is the SMILES notation for 2-fluoro-5-methoxy-3-methylpentanoic acid?
The canonical SMILES for 2-fluoro-5-methoxy-3-methylpentanoic acid is COCCC(C)C(F)C(=O)O.
What is the InChIKey of 2-fluoro-5-methoxy-3-methylpentanoic acid?
The InChIKey is KRCSXSTURXVQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FO3/c1-5(3-4-11-2)6(8)7(9)10/h5-6H,3-4H2,1-2H3,(H,9,10).
What are the key properties of 2-fluoro-5-methoxy-3-methylpentanoic acid?
2-fluoro-5-methoxy-3-methylpentanoic acid has a molecular weight of 164.18 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methoxy-3-methylpentanoic acid is sourced from PubChem (CID 81357953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).