10-fluoro-2-hexyldecanoic acid

C16H31FO2 — CID 172556963

IUPAC10-fluoro-2-hexyldecanoic acid
SMILESCCCCCCC(CCCCCCCCF)C(=O)O
InChIInChI=1S/C16H31FO2/c1-2-3-4-9-12-15(16(18)19)13-10-7-5-6-8-11-14-17/h15H,2-14H2,1H3,(H,18,19)
InChIKeyILGMTSHVMZVJNC-UHFFFAOYSA-N
MW274.42 g/mol
LogP5.36
Rot. Bonds14

About 10-fluoro-2-hexyldecanoic acid

10-fluoro-2-hexyldecanoic acid (PubChem CID 172556963) has the molecular formula C16H31FO2 and a molecular weight of 274.42 g/mol. Its IUPAC name is 10-fluoro-2-hexyldecanoic acid.

Molecular Properties

Compound Name10-fluoro-2-hexyldecanoic acid
PubChem CID172556963
Molecular FormulaC16H31FO2
Molecular Weight274.42 g/mol
Exact Mass274.23
IUPAC Name10-fluoro-2-hexyldecanoic acid
SMILESCCCCCCC(CCCCCCCCF)C(=O)O
InChIInChI=1S/C16H31FO2/c1-2-3-4-9-12-15(16(18)19)13-10-7-5-6-8-11-14-17/h15H,2-14H2,1H3,(H,18,19)
InChIKeyILGMTSHVMZVJNC-UHFFFAOYSA-N
XLogP5.36
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.42
LogP ≤ 55.36
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

2-heptadecylicosanoic acid
CID 57459073
2-nonyldodecanoic acid
CID 57283654
2-pentyldodecanoic acid
CID 18521426
2-undecylhexadecanoic acid
CID 139670823
2-hexylpentacosanoic acid
CID 158257677
2-nonylpentadecanoic acid
CID 139605044
(2S)-2-heptyldecanoic acid
CID 171991627
2-dodecyloctacosanoic acid
CID 90897371
2-dodecyldotriacontanoic acid
CID 90853745
2-dodecylhexadecanoic acid;2-dodecylicosanoic acid;2-dodecyloctadecanoic acid;2-hexadecyloctadecanoic acid;2-tetradecylhexadecanoic acid;2-tetradecyloctadecanoic acid
CID 173164625
2-hexylnonanoic acid
CID 18521424
2-undecyltridecanoic acid;hydrate
CID 162315261

Frequently Asked Questions

What is the IUPAC name of 10-fluoro-2-hexyldecanoic acid?
The IUPAC name of 10-fluoro-2-hexyldecanoic acid (CID 172556963) is 10-fluoro-2-hexyldecanoic acid.
What is the SMILES notation for 10-fluoro-2-hexyldecanoic acid?
The canonical SMILES for 10-fluoro-2-hexyldecanoic acid is CCCCCCC(CCCCCCCCF)C(=O)O.
What is the InChIKey of 10-fluoro-2-hexyldecanoic acid?
The InChIKey is ILGMTSHVMZVJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31FO2/c1-2-3-4-9-12-15(16(18)19)13-10-7-5-6-8-11-14-17/h15H,2-14H2,1H3,(H,18,19).
What are the key properties of 10-fluoro-2-hexyldecanoic acid?
10-fluoro-2-hexyldecanoic acid has a molecular weight of 274.42 g/mol, XLogP of 5.36, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-fluoro-2-hexyldecanoic acid is sourced from PubChem (CID 172556963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).