[(E)-2-fluorohept-1-enyl]benzene

C13H17F — CID 20721098

IUPAC[(E)-2-fluorohept-1-enyl]benzene
SMILESCCCCC/C(F)=C\c1ccccc1
InChIInChI=1S/C13H17F/c1-2-3-5-10-13(14)11-12-8-6-4-7-9-12/h4,6-9,11H,2-3,5,10H2,1H3/b13-11+
InChIKeyPORKOHFSMVGDHU-ACCUITESSA-N
MW192.28 g/mol
LogP4.58
Rot. Bonds5

About [(E)-2-fluorohept-1-enyl]benzene

[(E)-2-fluorohept-1-enyl]benzene (PubChem CID 20721098) has the molecular formula C13H17F and a molecular weight of 192.28 g/mol. Its IUPAC name is [(E)-2-fluorohept-1-enyl]benzene.

Molecular Properties

Compound Name[(E)-2-fluorohept-1-enyl]benzene
PubChem CID20721098
Molecular FormulaC13H17F
Molecular Weight192.28 g/mol
Exact Mass192.13
IUPAC Name[(E)-2-fluorohept-1-enyl]benzene
SMILESCCCCC/C(F)=C\c1ccccc1
InChIInChI=1S/C13H17F/c1-2-3-5-10-13(14)11-12-8-6-4-7-9-12/h4,6-9,11H,2-3,5,10H2,1H3/b13-11+
InChIKeyPORKOHFSMVGDHU-ACCUITESSA-N
XLogP4.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [(E)-2-fluorohept-1-enyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-5-fluoro-6-phenylhex-5-en-1-ol
CID 134863180
(2E)-2-benzylideneheptanoic acid
CID 14318164
[(Z)-2-chlorooct-1-enyl]benzene
CID 15271116
propane;[(E)-2-prop-1-en-2-ylhept-1-enyl]benzene
CID 143966502
2-(chloromethyl)oct-1-enylbenzene
CID 69226716
1-fluoro-4-[(E)-1-phenyloct-1-en-2-yl]benzene
CID 44521359
tributyl-[(E)-1-fluoro-2-phenylethenyl]stannane
CID 10862504
2-benzylideneicosanamide
CID 167436455
[(Z)-2-ethoxynon-1-enyl]benzene
CID 134932446
(E)-2-methyl-1-phenylnon-1-en-3-one
CID 102243478
(NZ)-N-[(2E)-2-benzylideneheptylidene]hydroxylamine
CID 5356023
4-methyl-2-[(Z)-1-phenylhept-1-en-2-yl]-1,3-dioxolane
CID 6374281

Frequently Asked Questions

What is the IUPAC name of [(E)-2-fluorohept-1-enyl]benzene?
The IUPAC name of [(E)-2-fluorohept-1-enyl]benzene (CID 20721098) is [(E)-2-fluorohept-1-enyl]benzene.
What is the SMILES notation for [(E)-2-fluorohept-1-enyl]benzene?
The canonical SMILES for [(E)-2-fluorohept-1-enyl]benzene is CCCCC/C(F)=C\c1ccccc1.
What is the InChIKey of [(E)-2-fluorohept-1-enyl]benzene?
The InChIKey is PORKOHFSMVGDHU-ACCUITESSA-N. The full InChI is InChI=1S/C13H17F/c1-2-3-5-10-13(14)11-12-8-6-4-7-9-12/h4,6-9,11H,2-3,5,10H2,1H3/b13-11+.
What are the key properties of [(E)-2-fluorohept-1-enyl]benzene?
[(E)-2-fluorohept-1-enyl]benzene has a molecular weight of 192.28 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-fluorohept-1-enyl]benzene is sourced from PubChem (CID 20721098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).