1-cyclopropyl-4,5-diethyl-2-(4-fluorophenyl)benzene

C19H21F — CID 129143320

IUPAC1-cyclopropyl-4,5-diethyl-2-(4-fluorophenyl)benzene
SMILESCCc1cc(-c2ccc(F)cc2)c(C2CC2)cc1CC
InChIInChI=1S/C19H21F/c1-3-13-11-18(15-5-6-15)19(12-14(13)4-2)16-7-9-17(20)10-8-16/h7-12,15H,3-6H2,1-2H3
InChIKeyBRAVJPQONHVPBA-UHFFFAOYSA-N
MW268.38 g/mol
LogP5.49
Rot. Bonds4

About 1-cyclopropyl-4,5-diethyl-2-(4-fluorophenyl)benzene

1-cyclopropyl-4,5-diethyl-2-(4-fluorophenyl)benzene (PubChem CID 129143320) has the molecular formula C19H21F and a molecular weight of 268.38 g/mol. Its IUPAC name is 1-cyclopropyl-4,5-diethyl-2-(4-fluorophenyl)benzene.

Molecular Properties

Compound Name1-cyclopropyl-4,5-diethyl-2-(4-fluorophenyl)benzene
PubChem CID129143320
Molecular FormulaC19H21F
Molecular Weight268.38 g/mol
Exact Mass268.16
IUPAC Name1-cyclopropyl-4,5-diethyl-2-(4-fluorophenyl)benzene
SMILESCCc1cc(-c2ccc(F)cc2)c(C2CC2)cc1CC
InChIInChI=1S/C19H21F/c1-3-13-11-18(15-5-6-15)19(12-14(13)4-2)16-7-9-17(20)10-8-16/h7-12,15H,3-6H2,1-2H3
InChIKeyBRAVJPQONHVPBA-UHFFFAOYSA-N
XLogP5.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.38
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

6-cyclopropyl-5-ethyl-2-(4-fluorophenyl)-1H-indole
CID 90378948
2-carboxy-4-cyclopropyl-5-(4-fluorophenyl)phenolate
CID 131746407
(1R,5S)-3-[2-ethyl-5-(4-fluorophenyl)phenyl]bicyclo[3.2.1]octane-2,4-dione
CID 91369697
[5-cyclopropyl-2-ethoxy-6-(4-fluorophenyl)-3-pyridinyl]methanol
CID 130388081
2,3-difluoro-1-(4-fluorophenyl)-4-(4-propylcyclohexyl)benzene
CID 118593483
1-ethyl-2,3-difluoro-4-[4-[3-fluoro-4-(4-methylcyclohexyl)phenyl]phenyl]benzene
CID 143772392
1-[1-[[5-cyclopropyl-4-(4-fluorophenyl)-2-propan-2-yloxyphenyl]methyl]piperidin-4-yl]-3-ethyl-2-oxopyridine-4-carboxylic acid
CID 118037888
methyl 5-cyclopropyl-4-(4-fluorophenyl)-2-thiomorpholin-4-ylbenzoate
CID 118897573
4-cyclopropyl-6-ethoxy-5-(4-fluorophenyl)pyridine-2-carbaldehyde
CID 90423946
1-ethyl-4-(5-fluoro-2-phenylphenyl)silinane
CID 54737361
1-[1-[[5-cyclopropyl-4-(4-fluorophenyl)-2-methoxyphenyl]methyl]piperidin-4-yl]-2-oxopyridine-4-carboxylic acid
CID 118037510
1-ethyl-2,3-difluoro-4-(4-fluorophenyl)benzene;1-(fluoromethoxy)-4-methylcyclohexane
CID 91103793

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4,5-diethyl-2-(4-fluorophenyl)benzene?
The IUPAC name of 1-cyclopropyl-4,5-diethyl-2-(4-fluorophenyl)benzene (CID 129143320) is 1-cyclopropyl-4,5-diethyl-2-(4-fluorophenyl)benzene.
What is the SMILES notation for 1-cyclopropyl-4,5-diethyl-2-(4-fluorophenyl)benzene?
The canonical SMILES for 1-cyclopropyl-4,5-diethyl-2-(4-fluorophenyl)benzene is CCc1cc(-c2ccc(F)cc2)c(C2CC2)cc1CC.
What is the InChIKey of 1-cyclopropyl-4,5-diethyl-2-(4-fluorophenyl)benzene?
The InChIKey is BRAVJPQONHVPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F/c1-3-13-11-18(15-5-6-15)19(12-14(13)4-2)16-7-9-17(20)10-8-16/h7-12,15H,3-6H2,1-2H3.
What are the key properties of 1-cyclopropyl-4,5-diethyl-2-(4-fluorophenyl)benzene?
1-cyclopropyl-4,5-diethyl-2-(4-fluorophenyl)benzene has a molecular weight of 268.38 g/mol, XLogP of 5.49, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4,5-diethyl-2-(4-fluorophenyl)benzene is sourced from PubChem (CID 129143320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).