1-fluoro-3-[(E)-hex-1-enyl]-5-methylbenzene

C13H17F — CID 21304348

IUPAC1-fluoro-3-[(E)-hex-1-enyl]-5-methylbenzene
SMILESCCCC/C=C/c1cc(C)cc(F)c1
InChIInChI=1S/C13H17F/c1-3-4-5-6-7-12-8-11(2)9-13(14)10-12/h6-10H,3-5H2,1-2H3/b7-6+
InChIKeyQVWQUCOWCIXOGS-VOTSOKGWSA-N
MW192.28 g/mol
LogP4.34
Rot. Bonds4

About 1-fluoro-3-[(E)-hex-1-enyl]-5-methylbenzene

1-fluoro-3-[(E)-hex-1-enyl]-5-methylbenzene (PubChem CID 21304348) has the molecular formula C13H17F and a molecular weight of 192.28 g/mol. Its IUPAC name is 1-fluoro-3-[(E)-hex-1-enyl]-5-methylbenzene.

Molecular Properties

Compound Name1-fluoro-3-[(E)-hex-1-enyl]-5-methylbenzene
PubChem CID21304348
Molecular FormulaC13H17F
Molecular Weight192.28 g/mol
Exact Mass192.13
IUPAC Name1-fluoro-3-[(E)-hex-1-enyl]-5-methylbenzene
SMILESCCCC/C=C/c1cc(C)cc(F)c1
InChIInChI=1S/C13H17F/c1-3-4-5-6-7-12-8-11(2)9-13(14)10-12/h6-10H,3-5H2,1-2H3/b7-6+
InChIKeyQVWQUCOWCIXOGS-VOTSOKGWSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 54.34
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

4-(3-fluoro-5-methylphenyl)-N-methylbut-3-en-1-amine
CID 79705493
3-(3-fluoro-5-methylphenyl)prop-2-ene-1-thiol
CID 169454674
N-tert-butyl-4-(3-fluoro-5-methylphenyl)but-3-en-1-amine
CID 79703507
5-tridec-1-enylbenzene-1,3-diol
CID 71328262
5-[(E)-tetradec-1-enyl]benzene-1,3-diol
CID 102403768
5-oct-1-enylbenzene-1,3-diol
CID 54079025
4-[(E)-hex-1-enyl]-6-methylpyran-2-one
CID 11389915
1,2-difluoro-3-[(E)-hept-1-enyl]-5-methylbenzene
CID 10966155
1-[(E)-4-bromobut-1-enyl]-3,5-difluorobenzene
CID 82086369
methyl 4-(3-fluoro-5-methylphenyl)but-3-enoate
CID 170500418
1,3-dimethyl-5-(3-pentoxyprop-1-enyl)benzene
CID 173058757
1,3-difluoro-5-(3-hexan-2-yloxyprop-1-enyl)benzene
CID 173195092

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-[(E)-hex-1-enyl]-5-methylbenzene?
The IUPAC name of 1-fluoro-3-[(E)-hex-1-enyl]-5-methylbenzene (CID 21304348) is 1-fluoro-3-[(E)-hex-1-enyl]-5-methylbenzene.
What is the SMILES notation for 1-fluoro-3-[(E)-hex-1-enyl]-5-methylbenzene?
The canonical SMILES for 1-fluoro-3-[(E)-hex-1-enyl]-5-methylbenzene is CCCC/C=C/c1cc(C)cc(F)c1.
What is the InChIKey of 1-fluoro-3-[(E)-hex-1-enyl]-5-methylbenzene?
The InChIKey is QVWQUCOWCIXOGS-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H17F/c1-3-4-5-6-7-12-8-11(2)9-13(14)10-12/h6-10H,3-5H2,1-2H3/b7-6+.
What are the key properties of 1-fluoro-3-[(E)-hex-1-enyl]-5-methylbenzene?
1-fluoro-3-[(E)-hex-1-enyl]-5-methylbenzene has a molecular weight of 192.28 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-[(E)-hex-1-enyl]-5-methylbenzene is sourced from PubChem (CID 21304348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).