1-fluoro-4-[2-(4-methylphenyl)ethyl]-2-(trifluoromethyl)benzene

C16H14F4 — CID 59545613

IUPAC1-fluoro-4-[2-(4-methylphenyl)ethyl]-2-(trifluoromethyl)benzene
SMILESCc1ccc(CCc2ccc(F)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C16H14F4/c1-11-2-4-12(5-3-11)6-7-13-8-9-15(17)14(10-13)16(18,19)20/h2-5,8-10H,6-7H2,1H3
InChIKeyDLDVGXJDUNXPGN-UHFFFAOYSA-N
MW282.28 g/mol
LogP4.94
Rot. Bonds3

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

1-fluoro-4-[2-(4-methylphenyl)ethyl]-2-(trifluoromethyl)benzene (PubChem CID 59545613) has the molecular formula C16H14F4 and a molecular weight of 282.28 g/mol. Its IUPAC name is 1-fluoro-4-[2-(4-methylphenyl)ethyl]-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-fluoro-4-[2-(4-methylphenyl)ethyl]-2-(trifluoromethyl)benzene
PubChem CID59545613
Molecular FormulaC16H14F4
Molecular Weight282.28 g/mol
Exact Mass282.10
IUPAC Name1-fluoro-4-[2-(4-methylphenyl)ethyl]-2-(trifluoromethyl)benzene
SMILESCc1ccc(CCc2ccc(F)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C16H14F4/c1-11-2-4-12(5-3-11)6-7-13-8-9-15(17)14(10-13)16(18,19)20/h2-5,8-10H,6-7H2,1H3
InChIKeyDLDVGXJDUNXPGN-UHFFFAOYSA-N
XLogP4.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.28
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-(bromomethyl)-1-fluoro-2-(trifluoromethyl)benzene;ethane
CID 155731469
2-fluoro-5-[2-(4-methylphenyl)ethyl]aniline
CID 58021964
1-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene
CID 20686233
1-[4-fluoro-3-(trifluoromethyl)phenyl]pentan-3-amine
CID 107290165
ethane;1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 145483743
1,4-bis[2-(4-methylphenyl)ethyl]benzene;fluoromethane
CID 91266439
[4-fluoro-3-(trifluoromethyl)phenyl]methyl hypofluorite
CID 144961841
4-(2,3-dimethylbutyl)-1-fluoro-2-(trifluoromethyl)benzene
CID 163781390
1,3-difluoro-5-[2-[4-iodo-3-(trifluoromethyl)phenyl]ethyl]-2-methylbenzene
CID 163549667
1-fluoro-4-methylbenzene;1-fluoro-4-[2-(4-methylphenyl)ethyl]benzene
CID 144561335
3-[4-fluoro-3-(trifluoromethyl)phenyl]prop-1-en-2-ol
CID 143164725
2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]oxirane
CID 107290790

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[2-(4-methylphenyl)ethyl]-2-(trifluoromethyl)benzene?
The IUPAC name of 1-fluoro-4-[2-(4-methylphenyl)ethyl]-2-(trifluoromethyl)benzene (CID 59545613) is 1-fluoro-4-[2-(4-methylphenyl)ethyl]-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-fluoro-4-[2-(4-methylphenyl)ethyl]-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-fluoro-4-[2-(4-methylphenyl)ethyl]-2-(trifluoromethyl)benzene is Cc1ccc(CCc2ccc(F)c(C(F)(F)F)c2)cc1.
What is the InChIKey of 1-fluoro-4-[2-(4-methylphenyl)ethyl]-2-(trifluoromethyl)benzene?
The InChIKey is DLDVGXJDUNXPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F4/c1-11-2-4-12(5-3-11)6-7-13-8-9-15(17)14(10-13)16(18,19)20/h2-5,8-10H,6-7H2,1H3.
What are the key properties of 1-fluoro-4-[2-(4-methylphenyl)ethyl]-2-(trifluoromethyl)benzene?
1-fluoro-4-[2-(4-methylphenyl)ethyl]-2-(trifluoromethyl)benzene has a molecular weight of 282.28 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[2-(4-methylphenyl)ethyl]-2-(trifluoromethyl)benzene is sourced from PubChem (CID 59545613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).