2-fluoro-4-(4-methylphenyl)-1-(trifluoromethyl)benzene

C14H10F4 — CID 21026890

IUPAC2-fluoro-4-(4-methylphenyl)-1-(trifluoromethyl)benzene
SMILESCc1ccc(-c2ccc(C(F)(F)F)c(F)c2)cc1
InChIInChI=1S/C14H10F4/c1-9-2-4-10(5-3-9)11-6-7-12(13(15)8-11)14(16,17)18/h2-8H,1H3
InChIKeyICYNSDDOTLDUES-UHFFFAOYSA-N
MW254.23 g/mol
LogP4.82
Rot. Bonds1

About 2-fluoro-4-(4-methylphenyl)-1-(trifluoromethyl)benzene

2-fluoro-4-(4-methylphenyl)-1-(trifluoromethyl)benzene (PubChem CID 21026890) has the molecular formula C14H10F4 and a molecular weight of 254.23 g/mol. Its IUPAC name is 2-fluoro-4-(4-methylphenyl)-1-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-fluoro-4-(4-methylphenyl)-1-(trifluoromethyl)benzene
PubChem CID21026890
Molecular FormulaC14H10F4
Molecular Weight254.23 g/mol
Exact Mass254.07
IUPAC Name2-fluoro-4-(4-methylphenyl)-1-(trifluoromethyl)benzene
SMILESCc1ccc(-c2ccc(C(F)(F)F)c(F)c2)cc1
InChIInChI=1S/C14H10F4/c1-9-2-4-10(5-3-9)11-6-7-12(13(15)8-11)14(16,17)18/h2-8H,1H3
InChIKeyICYNSDDOTLDUES-UHFFFAOYSA-N
XLogP4.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.23
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-difluoro-5-(4-methylphenyl)-2-(trifluoromethyl)benzene
CID 21026844
1,3-dichloro-5-[3-fluoro-4-(trifluoromethyl)phenyl]benzene
CID 134623705
2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methylbenzaldehyde
CID 107289665
[3-fluoro-4-(trifluoromethyl)phenyl]-dimethyl-λ3-iodane
CID 162581560
1-[3-fluoro-4-(trifluoromethyl)phenyl]-1-(4-methylphenyl)ethanol
CID 107287051
1-methyl-4-[4-[4-methyl-3-(trifluoromethyl)phenyl]phenyl]-2-(trifluoromethyl)benzene
CID 87917003
2-fluoro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene
CID 22899602
4-(4-but-3-enylphenyl)-2-fluoro-1-(trifluoromethyl)benzene
CID 139764150
1,3-difluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]-2-(trifluoromethyl)benzene;methane
CID 159994488
2-fluoro-4-[4-(sulfinatoamino)phenyl]-1-(trifluoromethyl)benzene
CID 69477389
1-tert-butyl-4-(4-tert-butylphenyl)-2-fluorobenzene
CID 58671884
6-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-indole
CID 90905265

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(4-methylphenyl)-1-(trifluoromethyl)benzene?
The IUPAC name of 2-fluoro-4-(4-methylphenyl)-1-(trifluoromethyl)benzene (CID 21026890) is 2-fluoro-4-(4-methylphenyl)-1-(trifluoromethyl)benzene.
What is the SMILES notation for 2-fluoro-4-(4-methylphenyl)-1-(trifluoromethyl)benzene?
The canonical SMILES for 2-fluoro-4-(4-methylphenyl)-1-(trifluoromethyl)benzene is Cc1ccc(-c2ccc(C(F)(F)F)c(F)c2)cc1.
What is the InChIKey of 2-fluoro-4-(4-methylphenyl)-1-(trifluoromethyl)benzene?
The InChIKey is ICYNSDDOTLDUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F4/c1-9-2-4-10(5-3-9)11-6-7-12(13(15)8-11)14(16,17)18/h2-8H,1H3.
What are the key properties of 2-fluoro-4-(4-methylphenyl)-1-(trifluoromethyl)benzene?
2-fluoro-4-(4-methylphenyl)-1-(trifluoromethyl)benzene has a molecular weight of 254.23 g/mol, XLogP of 4.82, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(4-methylphenyl)-1-(trifluoromethyl)benzene is sourced from PubChem (CID 21026890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).