1-fluoro-2-[(Z)-hept-5-en-3-yl]-4,5-dimethylbenzene

C15H21F — CID 83931667

IUPAC1-fluoro-2-[(Z)-hept-5-en-3-yl]-4,5-dimethylbenzene
SMILESC/C=C\CC(CC)c1cc(C)c(C)cc1F
InChIInChI=1S/C15H21F/c1-5-7-8-13(6-2)14-9-11(3)12(4)10-15(14)16/h5,7,9-10,13H,6,8H2,1-4H3/b7-5-
InChIKeyCLOZIFBOINQAPJ-ALCCZGGFSA-N
MW220.33 g/mol
LogP4.90
Rot. Bonds4

About 1-fluoro-2-[(Z)-hept-5-en-3-yl]-4,5-dimethylbenzene

1-fluoro-2-[(Z)-hept-5-en-3-yl]-4,5-dimethylbenzene (PubChem CID 83931667) has the molecular formula C15H21F and a molecular weight of 220.33 g/mol. Its IUPAC name is 1-fluoro-2-[(Z)-hept-5-en-3-yl]-4,5-dimethylbenzene.

Molecular Properties

Compound Name1-fluoro-2-[(Z)-hept-5-en-3-yl]-4,5-dimethylbenzene
PubChem CID83931667
Molecular FormulaC15H21F
Molecular Weight220.33 g/mol
Exact Mass220.16
IUPAC Name1-fluoro-2-[(Z)-hept-5-en-3-yl]-4,5-dimethylbenzene
SMILESC/C=C\CC(CC)c1cc(C)c(C)cc1F
InChIInChI=1S/C15H21F/c1-5-7-8-13(6-2)14-9-11(3)12(4)10-15(14)16/h5,7,9-10,13H,6,8H2,1-4H3/b7-5-
InChIKeyCLOZIFBOINQAPJ-ALCCZGGFSA-N
XLogP4.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.33
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-3-[2-(2-fluoro-4,5-dimethylphenyl)butyl]oxirane
CID 83931680
4-tert-butyl-2-[(Z)-hept-5-en-3-yl]-1-methylbenzene
CID 83935390
1-amino-4-(2-fluoro-4,5-dimethylphenyl)hexan-2-ol
CID 83931690
1-(1-chloro-2-methylbutyl)-2-fluoro-4,5-dimethylbenzene
CID 130921221
4-chloro-2-[(Z)-hept-5-en-3-yl]-1-methoxy-3,5-dimethylbenzene
CID 83938156
1-(2-fluoro-4,5-dimethylphenyl)butan-1-ol
CID 83988226
1-(2-fluoro-4,5-dimethylphenyl)-2-(methylamino)ethanol
CID 84774389
2-amino-2-(2-fluoro-4,5-dimethylphenyl)ethanol
CID 84769051
1-(4-fluoro-2,5-dimethylphenyl)propan-1-amine
CID 131007811
(1S)-1-(2,4-difluoro-5-methylphenyl)propan-1-ol
CID 82759417
6-[(Z)-hept-5-en-3-yl]-1,2,3,4-tetrahydronaphthalene
CID 83931784
5-amino-2-(2-fluoro-4,5-dimethylphenyl)heptan-4-ol
CID 83931688

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-[(Z)-hept-5-en-3-yl]-4,5-dimethylbenzene?
The IUPAC name of 1-fluoro-2-[(Z)-hept-5-en-3-yl]-4,5-dimethylbenzene (CID 83931667) is 1-fluoro-2-[(Z)-hept-5-en-3-yl]-4,5-dimethylbenzene.
What is the SMILES notation for 1-fluoro-2-[(Z)-hept-5-en-3-yl]-4,5-dimethylbenzene?
The canonical SMILES for 1-fluoro-2-[(Z)-hept-5-en-3-yl]-4,5-dimethylbenzene is C/C=C\CC(CC)c1cc(C)c(C)cc1F.
What is the InChIKey of 1-fluoro-2-[(Z)-hept-5-en-3-yl]-4,5-dimethylbenzene?
The InChIKey is CLOZIFBOINQAPJ-ALCCZGGFSA-N. The full InChI is InChI=1S/C15H21F/c1-5-7-8-13(6-2)14-9-11(3)12(4)10-15(14)16/h5,7,9-10,13H,6,8H2,1-4H3/b7-5-.
What are the key properties of 1-fluoro-2-[(Z)-hept-5-en-3-yl]-4,5-dimethylbenzene?
1-fluoro-2-[(Z)-hept-5-en-3-yl]-4,5-dimethylbenzene has a molecular weight of 220.33 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-[(Z)-hept-5-en-3-yl]-4,5-dimethylbenzene is sourced from PubChem (CID 83931667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).