2-[(2-fluorophenyl)methyl]-5-methylhexanoic acid

C14H19FO2 — CID 60793786

IUPAC2-[(2-fluorophenyl)methyl]-5-methylhexanoic acid
SMILESCC(C)CCC(Cc1ccccc1F)C(=O)O
InChIInChI=1S/C14H19FO2/c1-10(2)7-8-12(14(16)17)9-11-5-3-4-6-13(11)15/h3-6,10,12H,7-9H2,1-2H3,(H,16,17)
InChIKeyUPDUMXCWQPNIEO-UHFFFAOYSA-N
MW238.30 g/mol
LogP3.51
Rot. Bonds6

About 2-[(2-fluorophenyl)methyl]-5-methylhexanoic acid

2-[(2-fluorophenyl)methyl]-5-methylhexanoic acid (PubChem CID 60793786) has the molecular formula C14H19FO2 and a molecular weight of 238.30 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]-5-methylhexanoic acid.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]-5-methylhexanoic acid
PubChem CID60793786
Molecular FormulaC14H19FO2
Molecular Weight238.30 g/mol
Exact Mass238.14
IUPAC Name2-[(2-fluorophenyl)methyl]-5-methylhexanoic acid
SMILESCC(C)CCC(Cc1ccccc1F)C(=O)O
InChIInChI=1S/C14H19FO2/c1-10(2)7-8-12(14(16)17)9-11-5-3-4-6-13(11)15/h3-6,10,12H,7-9H2,1-2H3,(H,16,17)
InChIKeyUPDUMXCWQPNIEO-UHFFFAOYSA-N
XLogP3.51
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2-fluorophenyl)methyl]-5-hydroxypentanoic acid
CID 79419065
2-[(2-fluorophenyl)methyl]-5-methylhex-5-enoic acid
CID 114473256
2-[(2-fluorophenyl)methyl]-3-sulfanylpropanoic acid
CID 15673449
(2R)-2-(aminomethyl)-3-(2-fluorophenyl)propanoic acid
CID 42329482
2-[(2-fluorophenyl)methyl]-4-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 112590740
2-[(2-fluorophenyl)methyl]-3-(4-methylphenyl)propanoic acid
CID 60793481
2-(acetylsulfanylmethyl)-3-(2-fluorophenyl)propanoic acid
CID 19604203
(5S)-5-amino-2-[(2-fluorophenyl)methyl]-6-methyl-4-oxoheptanoic acid
CID 158593850
2-fluoro-4-(2-fluorophenyl)-3-methylbutanoic acid
CID 114832240
5-amino-2-[(2-fluorophenyl)methyl]-4-oxopentanoic acid
CID 159454907
4-amino-2-[(2,3-difluorophenyl)methyl]butanoic acid
CID 104680993
2-[(2-fluorophenyl)methyl]-3-thiophen-2-ylpropanoic acid
CID 60794221

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl]-5-methylhexanoic acid?
The IUPAC name of 2-[(2-fluorophenyl)methyl]-5-methylhexanoic acid (CID 60793786) is 2-[(2-fluorophenyl)methyl]-5-methylhexanoic acid.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl]-5-methylhexanoic acid?
The canonical SMILES for 2-[(2-fluorophenyl)methyl]-5-methylhexanoic acid is CC(C)CCC(Cc1ccccc1F)C(=O)O.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]-5-methylhexanoic acid?
The InChIKey is UPDUMXCWQPNIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO2/c1-10(2)7-8-12(14(16)17)9-11-5-3-4-6-13(11)15/h3-6,10,12H,7-9H2,1-2H3,(H,16,17).
What are the key properties of 2-[(2-fluorophenyl)methyl]-5-methylhexanoic acid?
2-[(2-fluorophenyl)methyl]-5-methylhexanoic acid has a molecular weight of 238.30 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl]-5-methylhexanoic acid is sourced from PubChem (CID 60793786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).