2-fluoro-1-[(Z)-hept-4-en-2-yl]-4-methylbenzene

C14H19F — CID 83925790

IUPAC2-fluoro-1-[(Z)-hept-4-en-2-yl]-4-methylbenzene
SMILESCC/C=C\CC(C)c1ccc(C)cc1F
InChIInChI=1S/C14H19F/c1-4-5-6-7-12(3)13-9-8-11(2)10-14(13)15/h5-6,8-10,12H,4,7H2,1-3H3/b6-5-
InChIKeyMZFDKAANCPRRGX-WAYWQWQTSA-N
MW206.30 g/mol
LogP4.59
Rot. Bonds4

About 2-fluoro-1-[(Z)-hept-4-en-2-yl]-4-methylbenzene

2-fluoro-1-[(Z)-hept-4-en-2-yl]-4-methylbenzene (PubChem CID 83925790) has the molecular formula C14H19F and a molecular weight of 206.30 g/mol. Its IUPAC name is 2-fluoro-1-[(Z)-hept-4-en-2-yl]-4-methylbenzene.

Molecular Properties

Compound Name2-fluoro-1-[(Z)-hept-4-en-2-yl]-4-methylbenzene
PubChem CID83925790
Molecular FormulaC14H19F
Molecular Weight206.30 g/mol
Exact Mass206.15
IUPAC Name2-fluoro-1-[(Z)-hept-4-en-2-yl]-4-methylbenzene
SMILESCC/C=C\CC(C)c1ccc(C)cc1F
InChIInChI=1S/C14H19F/c1-4-5-6-7-12(3)13-9-8-11(2)10-14(13)15/h5-6,8-10,12H,4,7H2,1-3H3/b6-5-
InChIKeyMZFDKAANCPRRGX-WAYWQWQTSA-N
XLogP4.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.30
LogP ≤ 54.59
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

1-butan-2-yl-2-fluoro-4-methylbenzene;ethane
CID 165138554
3-(2-fluoro-4-methylphenyl)butanethioamide
CID 83925748
2-fluoro-4-methyl-1-pent-4-yn-2-ylbenzene
CID 83925728
5-(2-fluoro-4-methylphenyl)hexan-2-one
CID 83925693
(2-fluoro-4-methylphenyl)methanediol
CID 129136979
4-chloro-1-ethoxy-2-[(Z)-hept-4-en-2-yl]benzene
CID 83933310
(1S)-2-fluoro-1-(2-fluoro-4-methylphenyl)ethanamine
CID 131226334
1-bromo-4-[(Z)-hept-4-en-2-yl]-2-methylbenzene
CID 83936348
1-chloro-3-fluoro-2-[(Z)-hept-4-en-2-yl]benzene
CID 83925287
1-(2-fluoro-4-methylphenyl)-4-methylpentan-1-amine
CID 112631075
1-(2-fluoro-4-methylphenyl)pentan-1-ol
CID 115783255
2-[(E,2S)-6-hydroxy-6-methylhept-4-en-2-yl]-5-methylphenol
CID 23426971

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-[(Z)-hept-4-en-2-yl]-4-methylbenzene?
The IUPAC name of 2-fluoro-1-[(Z)-hept-4-en-2-yl]-4-methylbenzene (CID 83925790) is 2-fluoro-1-[(Z)-hept-4-en-2-yl]-4-methylbenzene.
What is the SMILES notation for 2-fluoro-1-[(Z)-hept-4-en-2-yl]-4-methylbenzene?
The canonical SMILES for 2-fluoro-1-[(Z)-hept-4-en-2-yl]-4-methylbenzene is CC/C=C\CC(C)c1ccc(C)cc1F.
What is the InChIKey of 2-fluoro-1-[(Z)-hept-4-en-2-yl]-4-methylbenzene?
The InChIKey is MZFDKAANCPRRGX-WAYWQWQTSA-N. The full InChI is InChI=1S/C14H19F/c1-4-5-6-7-12(3)13-9-8-11(2)10-14(13)15/h5-6,8-10,12H,4,7H2,1-3H3/b6-5-.
What are the key properties of 2-fluoro-1-[(Z)-hept-4-en-2-yl]-4-methylbenzene?
2-fluoro-1-[(Z)-hept-4-en-2-yl]-4-methylbenzene has a molecular weight of 206.30 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-[(Z)-hept-4-en-2-yl]-4-methylbenzene is sourced from PubChem (CID 83925790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).