[(E)-4-fluorotetradec-3-en-3-yl]benzene

C20H31F — CID 102385844

IUPAC[(E)-4-fluorotetradec-3-en-3-yl]benzene
SMILESCCCCCCCCCC/C(F)=C(/CC)c1ccccc1
InChIInChI=1S/C20H31F/c1-3-5-6-7-8-9-10-14-17-20(21)19(4-2)18-15-12-11-13-16-18/h11-13,15-16H,3-10,14,17H2,1-2H3/b20-19+
InChIKeyYCWUTANXPZOXPD-FMQUCBEESA-N
MW290.47 g/mol
LogP7.31
Rot. Bonds11

About [(E)-4-fluorotetradec-3-en-3-yl]benzene

[(E)-4-fluorotetradec-3-en-3-yl]benzene (PubChem CID 102385844) has the molecular formula C20H31F and a molecular weight of 290.47 g/mol. Its IUPAC name is [(E)-4-fluorotetradec-3-en-3-yl]benzene.

Molecular Properties

Compound Name[(E)-4-fluorotetradec-3-en-3-yl]benzene
PubChem CID102385844
Molecular FormulaC20H31F
Molecular Weight290.47 g/mol
Exact Mass290.24
IUPAC Name[(E)-4-fluorotetradec-3-en-3-yl]benzene
SMILESCCCCCCCCCC/C(F)=C(/CC)c1ccccc1
InChIInChI=1S/C20H31F/c1-3-5-6-7-8-9-10-14-17-20(21)19(4-2)18-15-12-11-13-16-18/h11-13,15-16H,3-10,14,17H2,1-2H3/b20-19+
InChIKeyYCWUTANXPZOXPD-FMQUCBEESA-N
XLogP7.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.47
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 140615449
2-(1-phenylheptylidene)propanedioic acid
CID 90121852
1-phenylheptadecan-1-one
CID 577626
(Z)-9,10-difluorooctadec-9-ene
CID 101427942
(NE)-N-(1-phenyldodecylidene)hydroxylamine
CID 6013511
(NZ)-N-(1-phenyloctylidene)hydroxylamine
CID 5372164
(NE)-N-(1-phenyltetradecylidene)hydroxylamine
CID 6283340
2-methoxy-3-phenylundec-2-enoic acid
CID 54315676
hexadecanoyl benzoate
CID 57040691
octanoyl benzoate
CID 15556056

Frequently Asked Questions

What is the IUPAC name of [(E)-4-fluorotetradec-3-en-3-yl]benzene?
The IUPAC name of [(E)-4-fluorotetradec-3-en-3-yl]benzene (CID 102385844) is [(E)-4-fluorotetradec-3-en-3-yl]benzene.
What is the SMILES notation for [(E)-4-fluorotetradec-3-en-3-yl]benzene?
The canonical SMILES for [(E)-4-fluorotetradec-3-en-3-yl]benzene is CCCCCCCCCC/C(F)=C(/CC)c1ccccc1.
What is the InChIKey of [(E)-4-fluorotetradec-3-en-3-yl]benzene?
The InChIKey is YCWUTANXPZOXPD-FMQUCBEESA-N. The full InChI is InChI=1S/C20H31F/c1-3-5-6-7-8-9-10-14-17-20(21)19(4-2)18-15-12-11-13-16-18/h11-13,15-16H,3-10,14,17H2,1-2H3/b20-19+.
What are the key properties of [(E)-4-fluorotetradec-3-en-3-yl]benzene?
[(E)-4-fluorotetradec-3-en-3-yl]benzene has a molecular weight of 290.47 g/mol, XLogP of 7.31, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-fluorotetradec-3-en-3-yl]benzene is sourced from PubChem (CID 102385844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).