2-ethyl-4-fluoro-1-[1-(4-fluorophenyl)ethyl]benzene

C16H16F2 — CID 168744477

IUPAC2-ethyl-4-fluoro-1-[1-(4-fluorophenyl)ethyl]benzene
SMILESCCc1cc(F)ccc1C(C)c1ccc(F)cc1
InChIInChI=1S/C16H16F2/c1-3-12-10-15(18)8-9-16(12)11(2)13-4-6-14(17)7-5-13/h4-11H,3H2,1-2H3
InChIKeyATJPORURBUHICS-UHFFFAOYSA-N
MW246.30 g/mol
LogP4.68
Rot. Bonds3

About 2-ethyl-4-fluoro-1-[1-(4-fluorophenyl)ethyl]benzene

2-ethyl-4-fluoro-1-[1-(4-fluorophenyl)ethyl]benzene (PubChem CID 168744477) has the molecular formula C16H16F2 and a molecular weight of 246.30 g/mol. Its IUPAC name is 2-ethyl-4-fluoro-1-[1-(4-fluorophenyl)ethyl]benzene.

Molecular Properties

Compound Name2-ethyl-4-fluoro-1-[1-(4-fluorophenyl)ethyl]benzene
PubChem CID168744477
Molecular FormulaC16H16F2
Molecular Weight246.30 g/mol
Exact Mass246.12
IUPAC Name2-ethyl-4-fluoro-1-[1-(4-fluorophenyl)ethyl]benzene
SMILESCCc1cc(F)ccc1C(C)c1ccc(F)cc1
InChIInChI=1S/C16H16F2/c1-3-12-10-15(18)8-9-16(12)11(2)13-4-6-14(17)7-5-13/h4-11H,3H2,1-2H3
InChIKeyATJPORURBUHICS-UHFFFAOYSA-N
XLogP4.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(2-ethyl-4-fluorophenyl)-(4-fluorophenyl)methanol
CID 146466403
1-[1-(4-fluorophenyl)ethyl]-2,4-dimethoxybenzene
CID 132933151
2-ethyl-1,4-difluorobenzene
CID 23202513
(1S)-1-(2-ethyl-5-fluorophenyl)ethanamine
CID 130619359
4-[cyclopropyl-(4-fluorophenyl)methyl]-3-ethylbenzonitrile
CID 143183515
N-[(5-fluoro-2-propan-2-ylphenyl)methyl]-N-methylhydroxylamine
CID 84774507
2-ethyl-4-fluorobenzenethiol
CID 91874071
(2-bromo-4-methylphenyl)-(2-ethyl-4-fluorophenyl)methanol
CID 139494007
(2-bromo-4-fluorophenyl)-(3,4-diethylphenyl)methanamine
CID 115482082
4-[1-bromo-2-(4-fluorophenyl)ethyl]-1,2-diethylbenzene
CID 115482997
1-butan-2-yl-4-fluorobenzene
CID 11829648
1-chloro-2-[1-(2-chloro-4-fluorophenyl)ethyl]-4-propan-2-ylbenzene
CID 170073168

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-fluoro-1-[1-(4-fluorophenyl)ethyl]benzene?
The IUPAC name of 2-ethyl-4-fluoro-1-[1-(4-fluorophenyl)ethyl]benzene (CID 168744477) is 2-ethyl-4-fluoro-1-[1-(4-fluorophenyl)ethyl]benzene.
What is the SMILES notation for 2-ethyl-4-fluoro-1-[1-(4-fluorophenyl)ethyl]benzene?
The canonical SMILES for 2-ethyl-4-fluoro-1-[1-(4-fluorophenyl)ethyl]benzene is CCc1cc(F)ccc1C(C)c1ccc(F)cc1.
What is the InChIKey of 2-ethyl-4-fluoro-1-[1-(4-fluorophenyl)ethyl]benzene?
The InChIKey is ATJPORURBUHICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2/c1-3-12-10-15(18)8-9-16(12)11(2)13-4-6-14(17)7-5-13/h4-11H,3H2,1-2H3.
What are the key properties of 2-ethyl-4-fluoro-1-[1-(4-fluorophenyl)ethyl]benzene?
2-ethyl-4-fluoro-1-[1-(4-fluorophenyl)ethyl]benzene has a molecular weight of 246.30 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-fluoro-1-[1-(4-fluorophenyl)ethyl]benzene is sourced from PubChem (CID 168744477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).