2-fluoro-1-methyl-4-[2-(4-methylcyclohex-2-en-1-yl)ethyl]benzene

C16H21F — CID 139334272

IUPAC2-fluoro-1-methyl-4-[2-(4-methylcyclohex-2-en-1-yl)ethyl]benzene
SMILESCc1ccc(CCC2C=CC(C)CC2)cc1F
InChIInChI=1S/C16H21F/c1-12-3-6-14(7-4-12)9-10-15-8-5-13(2)16(17)11-15/h3,5-6,8,11-12,14H,4,7,9-10H2,1-2H3
InChIKeyJMRUMUKGWICJOJ-UHFFFAOYSA-N
MW232.34 g/mol
LogP4.67
Rot. Bonds3

About 2-fluoro-1-methyl-4-[2-(4-methylcyclohex-2-en-1-yl)ethyl]benzene

2-fluoro-1-methyl-4-[2-(4-methylcyclohex-2-en-1-yl)ethyl]benzene (PubChem CID 139334272) has the molecular formula C16H21F and a molecular weight of 232.34 g/mol. Its IUPAC name is 2-fluoro-1-methyl-4-[2-(4-methylcyclohex-2-en-1-yl)ethyl]benzene.

Molecular Properties

Compound Name2-fluoro-1-methyl-4-[2-(4-methylcyclohex-2-en-1-yl)ethyl]benzene
PubChem CID139334272
Molecular FormulaC16H21F
Molecular Weight232.34 g/mol
Exact Mass232.16
IUPAC Name2-fluoro-1-methyl-4-[2-(4-methylcyclohex-2-en-1-yl)ethyl]benzene
SMILESCc1ccc(CCC2C=CC(C)CC2)cc1F
InChIInChI=1S/C16H21F/c1-12-3-6-14(7-4-12)9-10-15-8-5-13(2)16(17)11-15/h3,5-6,8,11-12,14H,4,7,9-10H2,1-2H3
InChIKeyJMRUMUKGWICJOJ-UHFFFAOYSA-N
XLogP4.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.34
LogP ≤ 54.67
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-fluoro-1-methyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene
CID 160603486
4-[2-[4-(tert-butylsulfanylmethyl)cyclohexyl]ethyl]-2-fluoro-1-methylbenzene
CID 59545823
2-fluoro-1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene
CID 20599389
2-fluoro-4-(2-iodoethyl)-1-methylbenzene
CID 90129406
3-[2-(3-fluoro-4-methylphenyl)ethyl]morpholine
CID 104704060
4-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-2-fluoro-1-methylbenzene
CID 19987944
(2S,5R)-2-[2-(3,4-difluorophenyl)ethyl]-5-methylpyrrolidine
CID 70897405
3-[(3-fluoro-4-methylphenyl)methyl]azetidine
CID 63647017
(2S)-2-[(3-fluoro-4-methylphenyl)methyl]pyrrolidine
CID 58580794
2-cyclopropyl-N-[(3-fluoro-4-methylphenyl)methyl]propan-2-amine
CID 103700181
2-[2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]ethyl]-5-propyloxolane
CID 58555817
CID 20632338
CID 20632338

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-methyl-4-[2-(4-methylcyclohex-2-en-1-yl)ethyl]benzene?
The IUPAC name of 2-fluoro-1-methyl-4-[2-(4-methylcyclohex-2-en-1-yl)ethyl]benzene (CID 139334272) is 2-fluoro-1-methyl-4-[2-(4-methylcyclohex-2-en-1-yl)ethyl]benzene.
What is the SMILES notation for 2-fluoro-1-methyl-4-[2-(4-methylcyclohex-2-en-1-yl)ethyl]benzene?
The canonical SMILES for 2-fluoro-1-methyl-4-[2-(4-methylcyclohex-2-en-1-yl)ethyl]benzene is Cc1ccc(CCC2C=CC(C)CC2)cc1F.
What is the InChIKey of 2-fluoro-1-methyl-4-[2-(4-methylcyclohex-2-en-1-yl)ethyl]benzene?
The InChIKey is JMRUMUKGWICJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F/c1-12-3-6-14(7-4-12)9-10-15-8-5-13(2)16(17)11-15/h3,5-6,8,11-12,14H,4,7,9-10H2,1-2H3.
What are the key properties of 2-fluoro-1-methyl-4-[2-(4-methylcyclohex-2-en-1-yl)ethyl]benzene?
2-fluoro-1-methyl-4-[2-(4-methylcyclohex-2-en-1-yl)ethyl]benzene has a molecular weight of 232.34 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-methyl-4-[2-(4-methylcyclohex-2-en-1-yl)ethyl]benzene is sourced from PubChem (CID 139334272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).