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

C16H16F2 — CID 145113474

IUPAC2-fluoro-4-[1-(3-fluoro-4-methylphenyl)ethyl]-1-methylbenzene
SMILESCc1ccc(C(C)c2ccc(C)c(F)c2)cc1F
InChIInChI=1S/C16H16F2/c1-10-4-6-13(8-15(10)17)12(3)14-7-5-11(2)16(18)9-14/h4-9,12H,1-3H3
InChIKeyVWWBZWIZKDNWTF-UHFFFAOYSA-N
MW246.30 g/mol
LogP4.73
Rot. Bonds2

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

2-fluoro-4-[1-(3-fluoro-4-methylphenyl)ethyl]-1-methylbenzene (PubChem CID 145113474) has the molecular formula C16H16F2 and a molecular weight of 246.30 g/mol. Its IUPAC name is 2-fluoro-4-[1-(3-fluoro-4-methylphenyl)ethyl]-1-methylbenzene.

Molecular Properties

Compound Name2-fluoro-4-[1-(3-fluoro-4-methylphenyl)ethyl]-1-methylbenzene
PubChem CID145113474
Molecular FormulaC16H16F2
Molecular Weight246.30 g/mol
Exact Mass246.12
IUPAC Name2-fluoro-4-[1-(3-fluoro-4-methylphenyl)ethyl]-1-methylbenzene
SMILESCc1ccc(C(C)c2ccc(C)c(F)c2)cc1F
InChIInChI=1S/C16H16F2/c1-10-4-6-13(8-15(10)17)12(3)14-7-5-11(2)16(18)9-14/h4-9,12H,1-3H3
InChIKeyVWWBZWIZKDNWTF-UHFFFAOYSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(3-fluoro-4-methylphenyl)-2,3-dimethylbutan-1-ol
CID 107130631
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
2-(3-fluoro-4-methylphenyl)-N,N-dimethylpropan-1-amine
CID 170020811
4-(3-fluoro-4-methylphenyl)pentan-2-ol
CID 107129476
1-(3-fluoro-4-methylphenyl)-3-methylbut-2-en-1-amine
CID 79190938
N-[1-(3-fluoro-4-methylphenyl)ethyl]propan-1-amine
CID 60820092
3-fluoro-3-(3-fluoro-4-methylphenyl)-2-methylpropan-1-amine
CID 130604689
1-(3-fluoro-4-methylphenyl)-2-phenylpropan-1-ol
CID 107128049
2,3,5,6-tetrafluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]aniline
CID 107643680
N-[1-(4-chloro-3-fluorophenyl)ethyl]-1-(3-fluoro-4-methylphenyl)ethanamine
CID 83057829
1-(3-fluoro-4-methylphenyl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine
CID 43484259

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[1-(3-fluoro-4-methylphenyl)ethyl]-1-methylbenzene?
The IUPAC name of 2-fluoro-4-[1-(3-fluoro-4-methylphenyl)ethyl]-1-methylbenzene (CID 145113474) is 2-fluoro-4-[1-(3-fluoro-4-methylphenyl)ethyl]-1-methylbenzene.
What is the SMILES notation for 2-fluoro-4-[1-(3-fluoro-4-methylphenyl)ethyl]-1-methylbenzene?
The canonical SMILES for 2-fluoro-4-[1-(3-fluoro-4-methylphenyl)ethyl]-1-methylbenzene is Cc1ccc(C(C)c2ccc(C)c(F)c2)cc1F.
What is the InChIKey of 2-fluoro-4-[1-(3-fluoro-4-methylphenyl)ethyl]-1-methylbenzene?
The InChIKey is VWWBZWIZKDNWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2/c1-10-4-6-13(8-15(10)17)12(3)14-7-5-11(2)16(18)9-14/h4-9,12H,1-3H3.
What are the key properties of 2-fluoro-4-[1-(3-fluoro-4-methylphenyl)ethyl]-1-methylbenzene?
2-fluoro-4-[1-(3-fluoro-4-methylphenyl)ethyl]-1-methylbenzene has a molecular weight of 246.30 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[1-(3-fluoro-4-methylphenyl)ethyl]-1-methylbenzene is sourced from PubChem (CID 145113474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).