2-fluoro-4-methyl-1-[(4S)-4-methylcyclopent-2-en-1-yl]benzene

C13H15F — CID 163450086

IUPAC2-fluoro-4-methyl-1-[(4S)-4-methylcyclopent-2-en-1-yl]benzene
SMILESCc1ccc(C2C=C[C@@H](C)C2)c(F)c1
InChIInChI=1S/C13H15F/c1-9-3-5-11(7-9)12-6-4-10(2)8-13(12)14/h3-6,8-9,11H,7H2,1-2H3/t9-,11?/m1/s1
InChIKeyBFWBLHSRZUJOBV-BFHBGLAWSA-N
MW190.26 g/mol
LogP3.81
Rot. Bonds1

About 2-fluoro-4-methyl-1-[(4S)-4-methylcyclopent-2-en-1-yl]benzene

2-fluoro-4-methyl-1-[(4S)-4-methylcyclopent-2-en-1-yl]benzene (PubChem CID 163450086) has the molecular formula C13H15F and a molecular weight of 190.26 g/mol. Its IUPAC name is 2-fluoro-4-methyl-1-[(4S)-4-methylcyclopent-2-en-1-yl]benzene.

Molecular Properties

Compound Name2-fluoro-4-methyl-1-[(4S)-4-methylcyclopent-2-en-1-yl]benzene
PubChem CID163450086
Molecular FormulaC13H15F
Molecular Weight190.26 g/mol
Exact Mass190.12
IUPAC Name2-fluoro-4-methyl-1-[(4S)-4-methylcyclopent-2-en-1-yl]benzene
SMILESCc1ccc(C2C=C[C@@H](C)C2)c(F)c1
InChIInChI=1S/C13H15F/c1-9-3-5-11(7-9)12-6-4-10(2)8-13(12)14/h3-6,8-9,11H,7H2,1-2H3/t9-,11?/m1/s1
InChIKeyBFWBLHSRZUJOBV-BFHBGLAWSA-N
XLogP3.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.26
LogP ≤ 53.81
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-cyclopropyl-2-fluoro-4-methylbenzene;ethane
CID 144800459
2-fluoro-4-methyl-1-(4-methylcyclohexyl)benzene
CID 126578544
(2R)-2-(2-fluoro-4-methylphenyl)pyrrolidine;hydrochloride
CID 171195863
1,4-dimethylcyclohexane;bis(2-fluoro-1,4-dimethylbenzene);methane
CID 161294963
bis(1,4-dimethylcyclohexane);bis(2-fluoro-1,4-dimethylbenzene);1,4-xylene
CID 159175057
(3S)-4-(2-fluoro-4-methylphenyl)-3-methylpyrrolidine-2-carbaldehyde
CID 176968946
2-(2-fluoro-4-methylphenyl)morpholine
CID 83698750
2,4-dimethyl-1-(2-methylcyclopropyl)benzene
CID 154093761
2,6,9,10-tetramethyl-9,10-dihydroanthracene
CID 140827349
2-fluoro-1,4-dimethylbenzene;hydrochloride
CID 143804441
2-fluoro-1,4-dimethylbenzene;methane
CID 157153921
1,2-difluoro-4-methylbenzene;methanamine
CID 142872799

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methyl-1-[(4S)-4-methylcyclopent-2-en-1-yl]benzene?
The IUPAC name of 2-fluoro-4-methyl-1-[(4S)-4-methylcyclopent-2-en-1-yl]benzene (CID 163450086) is 2-fluoro-4-methyl-1-[(4S)-4-methylcyclopent-2-en-1-yl]benzene.
What is the SMILES notation for 2-fluoro-4-methyl-1-[(4S)-4-methylcyclopent-2-en-1-yl]benzene?
The canonical SMILES for 2-fluoro-4-methyl-1-[(4S)-4-methylcyclopent-2-en-1-yl]benzene is Cc1ccc(C2C=C[C@@H](C)C2)c(F)c1.
What is the InChIKey of 2-fluoro-4-methyl-1-[(4S)-4-methylcyclopent-2-en-1-yl]benzene?
The InChIKey is BFWBLHSRZUJOBV-BFHBGLAWSA-N. The full InChI is InChI=1S/C13H15F/c1-9-3-5-11(7-9)12-6-4-10(2)8-13(12)14/h3-6,8-9,11H,7H2,1-2H3/t9-,11?/m1/s1.
What are the key properties of 2-fluoro-4-methyl-1-[(4S)-4-methylcyclopent-2-en-1-yl]benzene?
2-fluoro-4-methyl-1-[(4S)-4-methylcyclopent-2-en-1-yl]benzene has a molecular weight of 190.26 g/mol, XLogP of 3.81, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methyl-1-[(4S)-4-methylcyclopent-2-en-1-yl]benzene is sourced from PubChem (CID 163450086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).