10-(3-fluorophenyl)dec-9-enoic acid

C16H21FO2 — CID 66874108

IUPAC10-(3-fluorophenyl)dec-9-enoic acid
SMILESO=C(O)CCCCCCCC=Cc1cccc(F)c1
InChIInChI=1S/C16H21FO2/c17-15-11-8-10-14(13-15)9-6-4-2-1-3-5-7-12-16(18)19/h6,8-11,13H,1-5,7,12H2,(H,18,19)
InChIKeyGXFQXJOLGHLUPK-UHFFFAOYSA-N
MW264.34 g/mol
LogP4.65
Rot. Bonds9

About 10-(3-fluorophenyl)dec-9-enoic acid

10-(3-fluorophenyl)dec-9-enoic acid (PubChem CID 66874108) has the molecular formula C16H21FO2 and a molecular weight of 264.34 g/mol. Its IUPAC name is 10-(3-fluorophenyl)dec-9-enoic acid.

Molecular Properties

Compound Name10-(3-fluorophenyl)dec-9-enoic acid
PubChem CID66874108
Molecular FormulaC16H21FO2
Molecular Weight264.34 g/mol
Exact Mass264.15
IUPAC Name10-(3-fluorophenyl)dec-9-enoic acid
SMILESO=C(O)CCCCCCCC=Cc1cccc(F)c1
InChIInChI=1S/C16H21FO2/c17-15-11-8-10-14(13-15)9-6-4-2-1-3-5-7-12-16(18)19/h6,8-11,13H,1-5,7,12H2,(H,18,19)
InChIKeyGXFQXJOLGHLUPK-UHFFFAOYSA-N
XLogP4.65
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 54.65
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

7-(4-fluorophenyl)hept-6-enoic acid
CID 54475519
(E)-7-(3-benzylphenyl)hept-6-enoic acid
CID 18987223
(Z)-27-(4-hydroxyphenyl)heptacos-26-enoic acid
CID 177424938
(E)-7-pyridin-3-ylhept-6-enoic acid
CID 13417279
19-[3-(18-carboxyoctadeca-7,10-dienyl)phenyl]nonadeca-9,12-dienoic acid
CID 175906228
benzyl (3R)-4-(dimethylamino)-3-[10-(3-fluorophenyl)dec-9-enoylamino]butanoate
CID 66874518
(9Z,12Z)-henicosa-9,12-dienedioic acid
CID 88967017
(E)-19-(2-hydroxyphenyl)nonadec-18-enoic acid
CID 58721548
5-(3-chlorophenyl)pent-4-enoic acid
CID 72993428
(E)-8-(4-cyanophenyl)oct-7-enoic acid
CID 70068307
5-[3-(trifluoromethyl)phenyl]pent-4-enoic acid
CID 171372447
6-[3-(methoxymethoxy)phenyl]hex-5-enoic acid
CID 139922099

Frequently Asked Questions

What is the IUPAC name of 10-(3-fluorophenyl)dec-9-enoic acid?
The IUPAC name of 10-(3-fluorophenyl)dec-9-enoic acid (CID 66874108) is 10-(3-fluorophenyl)dec-9-enoic acid.
What is the SMILES notation for 10-(3-fluorophenyl)dec-9-enoic acid?
The canonical SMILES for 10-(3-fluorophenyl)dec-9-enoic acid is O=C(O)CCCCCCCC=Cc1cccc(F)c1.
What is the InChIKey of 10-(3-fluorophenyl)dec-9-enoic acid?
The InChIKey is GXFQXJOLGHLUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FO2/c17-15-11-8-10-14(13-15)9-6-4-2-1-3-5-7-12-16(18)19/h6,8-11,13H,1-5,7,12H2,(H,18,19).
What are the key properties of 10-(3-fluorophenyl)dec-9-enoic acid?
10-(3-fluorophenyl)dec-9-enoic acid has a molecular weight of 264.34 g/mol, XLogP of 4.65, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3-fluorophenyl)dec-9-enoic acid is sourced from PubChem (CID 66874108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).