1,3-bis(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]benzene

C15H7F9 — CID 119000485

IUPAC1,3-bis(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]benzene
SMILESFC(F)(F)c1ccc(-c2c(C(F)(F)F)cccc2C(F)(F)F)cc1
InChIInChI=1S/C15H7F9/c16-13(17,18)9-6-4-8(5-7-9)12-10(14(19,20)21)2-1-3-11(12)15(22,23)24/h1-7H
InChIKeyJITPMMYBVCMHRU-UHFFFAOYSA-N
MW358.20 g/mol
LogP6.41
Rot. Bonds1

About 1,3-bis(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]benzene

1,3-bis(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]benzene (PubChem CID 119000485) has the molecular formula C15H7F9 and a molecular weight of 358.20 g/mol. Its IUPAC name is 1,3-bis(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name1,3-bis(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]benzene
PubChem CID119000485
Molecular FormulaC15H7F9
Molecular Weight358.20 g/mol
Exact Mass358.04
IUPAC Name1,3-bis(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]benzene
SMILESFC(F)(F)c1ccc(-c2c(C(F)(F)F)cccc2C(F)(F)F)cc1
InChIInChI=1S/C15H7F9/c16-13(17,18)9-6-4-8(5-7-9)12-10(14(19,20)21)2-1-3-11(12)15(22,23)24/h1-7H
InChIKeyJITPMMYBVCMHRU-UHFFFAOYSA-N
XLogP6.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.20
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-bis(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene
CID 57112029
methyl 3-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]benzoate
CID 134630678
9,20-bis[4-(trifluoromethyl)phenyl]octacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaene
CID 46177256
2,5-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]thiophene
CID 101437034
1,2,3,4,5-pentachloro-6-[4-(trifluoromethyl)phenyl]benzene
CID 118809445
1,3-dichloro-5-[4-(trifluoromethyl)phenyl]benzene
CID 57139215
5-(trifluoromethyl)-1,3-bis[2-(trifluoromethyl)phenyl]-2-[4-[2-(trifluoromethyl)phenyl]phenyl]benzene
CID 176828118
1-fluoro-3-methoxy-2-[4-(trifluoromethyl)phenyl]benzene
CID 134631184
4-[2,4,6-tris(trifluoromethyl)phenyl]-N,N-bis[4-[2,4,6-tris(trifluoromethyl)phenyl]phenyl]aniline
CID 59711273
1-(cyclopropen-1-yl)-4-(trifluoromethyl)benzene
CID 101091649
trimethyl-[4-[2,4,6-tris[4-(trifluoromethyl)phenyl]-3,5-bis(4-trimethylsilylphenyl)phenyl]phenyl]silane
CID 102366685
1-fluoro-3-propan-2-yl-2-[4-(trifluoromethyl)phenyl]benzene
CID 54565762

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 1,3-bis(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]benzene (CID 119000485) is 1,3-bis(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 1,3-bis(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 1,3-bis(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]benzene is FC(F)(F)c1ccc(-c2c(C(F)(F)F)cccc2C(F)(F)F)cc1.
What is the InChIKey of 1,3-bis(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]benzene?
The InChIKey is JITPMMYBVCMHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7F9/c16-13(17,18)9-6-4-8(5-7-9)12-10(14(19,20)21)2-1-3-11(12)15(22,23)24/h1-7H.
What are the key properties of 1,3-bis(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]benzene?
1,3-bis(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]benzene has a molecular weight of 358.20 g/mol, XLogP of 6.41, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 119000485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).