18-fluoro-10-methyloctadecanoic acid

C19H37FO2 — CID 10013

IUPAC18-fluoro-10-methyloctadecanoic acid
SMILESCC(CCCCCCCCF)CCCCCCCCC(=O)O
InChIInChI=1S/C19H37FO2/c1-18(15-11-7-4-5-9-13-17-20)14-10-6-2-3-8-12-16-19(21)22/h18H,2-17H2,1H3,(H,21,22)
InChIKeyQIRSUTHUFDPRNY-UHFFFAOYSA-N
MW316.50 g/mol
LogP6.53
Rot. Bonds17

About 18-fluoro-10-methyloctadecanoic acid

18-fluoro-10-methyloctadecanoic acid (PubChem CID 10013) has the molecular formula C19H37FO2 and a molecular weight of 316.50 g/mol. Its IUPAC name is 18-fluoro-10-methyloctadecanoic acid.

Molecular Properties

Compound Name18-fluoro-10-methyloctadecanoic acid
PubChem CID10013
Molecular FormulaC19H37FO2
Molecular Weight316.50 g/mol
Exact Mass316.28
IUPAC Name18-fluoro-10-methyloctadecanoic acid
SMILESCC(CCCCCCCCF)CCCCCCCCC(=O)O
InChIInChI=1S/C19H37FO2/c1-18(15-11-7-4-5-9-13-17-20)14-10-6-2-3-8-12-16-19(21)22/h18H,2-17H2,1H3,(H,21,22)
InChIKeyQIRSUTHUFDPRNY-UHFFFAOYSA-N
XLogP6.53
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.50
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

25-fluoro-13-methylpentacosanoic acid
CID 89234036
19-methylheptatriacontanedioic acid
CID 141009772
4-methylhexadecanedioic acid;dihydrochloride
CID 89463142
12,17-dimethyloctadecanoic acid
CID 123475021
8-fluorooctanoic acid
CID 9616
17-fluoroheptadecanoic acid
CID 13401115
11,15-dimethylhexadecanoic acid
CID 5282701
8-methylhexadecanoic acid
CID 5312298
8,12-dimethyltridecanoic acid
CID 101005175
12-methylicosanoic acid
CID 15736271
9-methylpentadecanoic acid
CID 22251894
(6S)-6-methyltetradecanoic acid
CID 95858653

Frequently Asked Questions

What is the IUPAC name of 18-fluoro-10-methyloctadecanoic acid?
The IUPAC name of 18-fluoro-10-methyloctadecanoic acid (CID 10013) is 18-fluoro-10-methyloctadecanoic acid.
What is the SMILES notation for 18-fluoro-10-methyloctadecanoic acid?
The canonical SMILES for 18-fluoro-10-methyloctadecanoic acid is CC(CCCCCCCCF)CCCCCCCCC(=O)O.
What is the InChIKey of 18-fluoro-10-methyloctadecanoic acid?
The InChIKey is QIRSUTHUFDPRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37FO2/c1-18(15-11-7-4-5-9-13-17-20)14-10-6-2-3-8-12-16-19(21)22/h18H,2-17H2,1H3,(H,21,22).
What are the key properties of 18-fluoro-10-methyloctadecanoic acid?
18-fluoro-10-methyloctadecanoic acid has a molecular weight of 316.50 g/mol, XLogP of 6.53, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 18-fluoro-10-methyloctadecanoic acid is sourced from PubChem (CID 10013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).