2-ethyl-4-fluoropentanoic acid

C7H13FO2 — CID 142907671

IUPAC2-ethyl-4-fluoropentanoic acid
SMILESCCC(CC(C)F)C(=O)O
InChIInChI=1S/C7H13FO2/c1-3-6(7(9)10)4-5(2)8/h5-6H,3-4H2,1-2H3,(H,9,10)
InChIKeyOUOPNFZTIXACBW-UHFFFAOYSA-N
MW148.18 g/mol
LogP1.85
Rot. Bonds4

About 2-ethyl-4-fluoropentanoic acid

2-ethyl-4-fluoropentanoic acid (PubChem CID 142907671) has the molecular formula C7H13FO2 and a molecular weight of 148.18 g/mol. Its IUPAC name is 2-ethyl-4-fluoropentanoic acid.

Molecular Properties

Compound Name2-ethyl-4-fluoropentanoic acid
PubChem CID142907671
Molecular FormulaC7H13FO2
Molecular Weight148.18 g/mol
Exact Mass148.09
IUPAC Name2-ethyl-4-fluoropentanoic acid
SMILESCCC(CC(C)F)C(=O)O
InChIInChI=1S/C7H13FO2/c1-3-6(7(9)10)4-5(2)8/h5-6H,3-4H2,1-2H3,(H,9,10)
InChIKeyOUOPNFZTIXACBW-UHFFFAOYSA-N
XLogP1.85
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 ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-methylhenhectane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99-pentacontacarboxylic acid
CID 123247671
CID 87086045
CID 87086045
ethane;2-ethylbutanoic acid
CID 142229949
CID 123134376
CID 123134376
5-amino-2-ethyl-4-methyl-5-oxopentanoic acid
CID 58612932
2-ethyl-4,6-dimethylheptanedioic acid
CID 156625927
2,5-diethyl-3-methylhexanedioic acid
CID 173451438
(2R)-2-amino-4-ethylpentanedioic acid
CID 57469863
magnesium;bis(2-ethylbutanoic acid);hydride
CID 174895693
4-carbamoyl-6-carboxy-2-methyloctanoate
CID 176624097
4-acetamido-2-ethylpentanoic acid
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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-fluoropentanoic acid?
The IUPAC name of 2-ethyl-4-fluoropentanoic acid (CID 142907671) is 2-ethyl-4-fluoropentanoic acid.
What is the SMILES notation for 2-ethyl-4-fluoropentanoic acid?
The canonical SMILES for 2-ethyl-4-fluoropentanoic acid is CCC(CC(C)F)C(=O)O.
What is the InChIKey of 2-ethyl-4-fluoropentanoic acid?
The InChIKey is OUOPNFZTIXACBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FO2/c1-3-6(7(9)10)4-5(2)8/h5-6H,3-4H2,1-2H3,(H,9,10).
What are the key properties of 2-ethyl-4-fluoropentanoic acid?
2-ethyl-4-fluoropentanoic acid has a molecular weight of 148.18 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-fluoropentanoic acid is sourced from PubChem (CID 142907671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).