2-fluoro-4-[1-fluoro-2-(3-fluoro-4-methylphenyl)ethyl]-1-methylbenzene

C16H15F3 — CID 86172887

IUPAC2-fluoro-4-[1-fluoro-2-(3-fluoro-4-methylphenyl)ethyl]-1-methylbenzene
SMILESCc1ccc(CC(F)c2ccc(C)c(F)c2)cc1F
InChIInChI=1S/C16H15F3/c1-10-3-5-12(7-14(10)17)8-16(19)13-6-4-11(2)15(18)9-13/h3-7,9,16H,8H2,1-2H3
InChIKeyJAXFRBBHCRTWBR-UHFFFAOYSA-N
MW264.29 g/mol
LogP4.83
Rot. Bonds3

About 2-fluoro-4-[1-fluoro-2-(3-fluoro-4-methylphenyl)ethyl]-1-methylbenzene

2-fluoro-4-[1-fluoro-2-(3-fluoro-4-methylphenyl)ethyl]-1-methylbenzene (PubChem CID 86172887) has the molecular formula C16H15F3 and a molecular weight of 264.29 g/mol. Its IUPAC name is 2-fluoro-4-[1-fluoro-2-(3-fluoro-4-methylphenyl)ethyl]-1-methylbenzene.

Molecular Properties

Compound Name2-fluoro-4-[1-fluoro-2-(3-fluoro-4-methylphenyl)ethyl]-1-methylbenzene
PubChem CID86172887
Molecular FormulaC16H15F3
Molecular Weight264.29 g/mol
Exact Mass264.11
IUPAC Name2-fluoro-4-[1-fluoro-2-(3-fluoro-4-methylphenyl)ethyl]-1-methylbenzene
SMILESCc1ccc(CC(F)c2ccc(C)c(F)c2)cc1F
InChIInChI=1S/C16H15F3/c1-10-3-5-12(7-14(10)17)8-16(19)13-6-4-11(2)15(18)9-13/h3-7,9,16H,8H2,1-2H3
InChIKeyJAXFRBBHCRTWBR-UHFFFAOYSA-N
XLogP4.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-[1-chloro-2-(3,4-dimethylphenyl)ethyl]-2-fluoro-1-methylbenzene
CID 55224820
3-(3-fluoro-4-methylphenyl)-2-methylpropan-1-ol
CID 107129475
4-[1-chloro-2-(4-methylphenyl)ethyl]-2-fluoro-1-methylbenzene
CID 63542159
4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-2-fluoro-1-methylbenzene
CID 63531447
2-fluoro-4-[1-(3-fluoro-4-methylphenyl)ethyl]-1-methylbenzene
CID 145113474
2,2-difluoro-1-(3-fluoro-4-methylphenyl)ethanamine
CID 80605936
5-[(3,5-difluoro-4-methylphenyl)-(3-fluoro-4-methylphenyl)methyl]-1,3-difluoro-2-methylbenzene
CID 153499802
ethyl 3-(3-fluoro-4-methylphenyl)-2-methylpropanoate
CID 70640795
2-(3,4-dichlorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine
CID 63413610
1-(3-fluoro-4-methylphenyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
CID 116544023
N-[1-(3-fluoro-4-methylphenyl)ethyl]-1-(3-fluorophenyl)propan-2-amine
CID 114830222
4-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-2-fluoro-1-methylbenzene
CID 63530732

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[1-fluoro-2-(3-fluoro-4-methylphenyl)ethyl]-1-methylbenzene?
The IUPAC name of 2-fluoro-4-[1-fluoro-2-(3-fluoro-4-methylphenyl)ethyl]-1-methylbenzene (CID 86172887) is 2-fluoro-4-[1-fluoro-2-(3-fluoro-4-methylphenyl)ethyl]-1-methylbenzene.
What is the SMILES notation for 2-fluoro-4-[1-fluoro-2-(3-fluoro-4-methylphenyl)ethyl]-1-methylbenzene?
The canonical SMILES for 2-fluoro-4-[1-fluoro-2-(3-fluoro-4-methylphenyl)ethyl]-1-methylbenzene is Cc1ccc(CC(F)c2ccc(C)c(F)c2)cc1F.
What is the InChIKey of 2-fluoro-4-[1-fluoro-2-(3-fluoro-4-methylphenyl)ethyl]-1-methylbenzene?
The InChIKey is JAXFRBBHCRTWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3/c1-10-3-5-12(7-14(10)17)8-16(19)13-6-4-11(2)15(18)9-13/h3-7,9,16H,8H2,1-2H3.
What are the key properties of 2-fluoro-4-[1-fluoro-2-(3-fluoro-4-methylphenyl)ethyl]-1-methylbenzene?
2-fluoro-4-[1-fluoro-2-(3-fluoro-4-methylphenyl)ethyl]-1-methylbenzene has a molecular weight of 264.29 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[1-fluoro-2-(3-fluoro-4-methylphenyl)ethyl]-1-methylbenzene is sourced from PubChem (CID 86172887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).