5-fluoro-2-methyl-1-phenylcyclohexa-1,3-diene

C13H13F — CID 154971229

IUPAC5-fluoro-2-methyl-1-phenylcyclohexa-1,3-diene
SMILESCC1=C(c2ccccc2)CC(F)C=C1
InChIInChI=1S/C13H13F/c1-10-7-8-12(14)9-13(10)11-5-3-2-4-6-11/h2-8,12H,9H2,1H3
InChIKeyILCZDALKOYPRTD-UHFFFAOYSA-N
MW188.25 g/mol
LogP3.76
Rot. Bonds1

About 5-fluoro-2-methyl-1-phenylcyclohexa-1,3-diene

5-fluoro-2-methyl-1-phenylcyclohexa-1,3-diene (PubChem CID 154971229) has the molecular formula C13H13F and a molecular weight of 188.25 g/mol. Its IUPAC name is 5-fluoro-2-methyl-1-phenylcyclohexa-1,3-diene.

Molecular Properties

Compound Name5-fluoro-2-methyl-1-phenylcyclohexa-1,3-diene
PubChem CID154971229
Molecular FormulaC13H13F
Molecular Weight188.25 g/mol
Exact Mass188.10
IUPAC Name5-fluoro-2-methyl-1-phenylcyclohexa-1,3-diene
SMILESCC1=C(c2ccccc2)CC(F)C=C1
InChIInChI=1S/C13H13F/c1-10-7-8-12(14)9-13(10)11-5-3-2-4-6-11/h2-8,12H,9H2,1H3
InChIKeyILCZDALKOYPRTD-UHFFFAOYSA-N
XLogP3.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(2,5-dimethylcyclohexa-1,3-dien-1-yl)-2-methylbenzene
CID 143793879
(2-fluoro-4-methylcyclopenten-1-yl)benzene
CID 15529228
3-methyl-4-phenylcyclopent-3-en-1-one
CID 58657939
(5S)-5-(4-fluorophenyl)-2-methyl-3-phenylcyclopent-2-en-1-one
CID 162416769
2-fluoro-1,3-dimethyl-4-phenylcyclohexa-1,3-diene
CID 173366752
[(3S,4S)-3,4-dimethyl-2-phenylcyclopenten-1-yl]benzene
CID 101214144
(4S)-N,N-diethyl-4-methyl-2-phenylcyclobuten-1-amine
CID 101352377
3,5-difluoro-1-phenylcyclohexa-1,3-diene
CID 66693994
1,5-dimethyl-4-phenyl-2,3-dihydropyridin-1-ium
CID 13359073
5-methyl-4-phenyl-1,3-dihydropyrrol-2-one
CID 11469349
2-(5-methylcyclohexa-2,4-dien-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 134186431
1-methoxy-4-methyl-5-phenylcyclohexa-2,4-diene-1-carboxylic acid
CID 175187792

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-1-phenylcyclohexa-1,3-diene?
The IUPAC name of 5-fluoro-2-methyl-1-phenylcyclohexa-1,3-diene (CID 154971229) is 5-fluoro-2-methyl-1-phenylcyclohexa-1,3-diene.
What is the SMILES notation for 5-fluoro-2-methyl-1-phenylcyclohexa-1,3-diene?
The canonical SMILES for 5-fluoro-2-methyl-1-phenylcyclohexa-1,3-diene is CC1=C(c2ccccc2)CC(F)C=C1.
What is the InChIKey of 5-fluoro-2-methyl-1-phenylcyclohexa-1,3-diene?
The InChIKey is ILCZDALKOYPRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F/c1-10-7-8-12(14)9-13(10)11-5-3-2-4-6-11/h2-8,12H,9H2,1H3.
What are the key properties of 5-fluoro-2-methyl-1-phenylcyclohexa-1,3-diene?
5-fluoro-2-methyl-1-phenylcyclohexa-1,3-diene has a molecular weight of 188.25 g/mol, XLogP of 3.76, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-1-phenylcyclohexa-1,3-diene is sourced from PubChem (CID 154971229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).