7-(4-fluorophenyl)hept-6-enoic acid

C13H15FO2 — CID 54475519

IUPAC7-(4-fluorophenyl)hept-6-enoic acid
SMILESO=C(O)CCCCC=Cc1ccc(F)cc1
InChIInChI=1S/C13H15FO2/c14-12-9-7-11(8-10-12)5-3-1-2-4-6-13(15)16/h3,5,7-10H,1-2,4,6H2,(H,15,16)
InChIKeyXLHIITHGAYJLPM-UHFFFAOYSA-N
MW222.26 g/mol
LogP3.48
Rot. Bonds6

About 7-(4-fluorophenyl)hept-6-enoic acid

7-(4-fluorophenyl)hept-6-enoic acid (PubChem CID 54475519) has the molecular formula C13H15FO2 and a molecular weight of 222.26 g/mol. Its IUPAC name is 7-(4-fluorophenyl)hept-6-enoic acid.

Molecular Properties

Compound Name7-(4-fluorophenyl)hept-6-enoic acid
PubChem CID54475519
Molecular FormulaC13H15FO2
Molecular Weight222.26 g/mol
Exact Mass222.11
IUPAC Name7-(4-fluorophenyl)hept-6-enoic acid
SMILESO=C(O)CCCCC=Cc1ccc(F)cc1
InChIInChI=1S/C13H15FO2/c14-12-9-7-11(8-10-12)5-3-1-2-4-6-13(15)16/h3,5,7-10H,1-2,4,6H2,(H,15,16)
InChIKeyXLHIITHGAYJLPM-UHFFFAOYSA-N
XLogP3.48
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 53.48
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

(Z)-27-(4-hydroxyphenyl)heptacos-26-enoic acid
CID 177424938
10-(3-fluorophenyl)dec-9-enoic acid
CID 66874108
(E)-8-(4-cyanophenyl)oct-7-enoic acid
CID 70068307
(E)-6-(4-bromophenyl)hex-5-enoic acid
CID 14939379
4-[[(E)-4-(4-fluorophenyl)but-3-enoyl]amino]butanoic acid
CID 119170642
5-[4-(6-aminohex-1-enyl)phenyl]pentanoic acid
CID 54326836
(E)-6-(4-tert-butylphenyl)hex-5-enoic acid
CID 95457618
5-(4-fluorophenyl)pent-4-enoyl 5-(4-fluorophenyl)pent-4-eneperoxoate
CID 173269639
6-(4-cyanophenyl)hex-5-enoic acid
CID 54023642
7-(2-chloropyrimidin-5-yl)hept-6-enoic acid
CID 170760433
6-[[(E)-2-(4-fluorophenyl)ethenyl]carbamoylamino]hexanoic acid
CID 108907989
(E)-7-pyridin-3-ylhept-6-enoic acid
CID 13417279

Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)hept-6-enoic acid?
The IUPAC name of 7-(4-fluorophenyl)hept-6-enoic acid (CID 54475519) is 7-(4-fluorophenyl)hept-6-enoic acid.
What is the SMILES notation for 7-(4-fluorophenyl)hept-6-enoic acid?
The canonical SMILES for 7-(4-fluorophenyl)hept-6-enoic acid is O=C(O)CCCCC=Cc1ccc(F)cc1.
What is the InChIKey of 7-(4-fluorophenyl)hept-6-enoic acid?
The InChIKey is XLHIITHGAYJLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO2/c14-12-9-7-11(8-10-12)5-3-1-2-4-6-13(15)16/h3,5,7-10H,1-2,4,6H2,(H,15,16).
What are the key properties of 7-(4-fluorophenyl)hept-6-enoic acid?
7-(4-fluorophenyl)hept-6-enoic acid has a molecular weight of 222.26 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)hept-6-enoic acid is sourced from PubChem (CID 54475519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).