1-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-3,5-bis(trifluoromethyl)benzene

C22H10F12 — CID 163216983

IUPAC1-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-3,5-bis(trifluoromethyl)benzene
SMILESFC(F)(F)c1cc(-c2ccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)cc(C(F)(F)F)c1
InChIInChI=1S/C22H10F12/c23-19(24,25)15-5-13(6-16(9-15)20(26,27)28)11-1-2-12(4-3-11)14-7-17(21(29,30)31)10-18(8-14)22(32,33)34/h1-10H
InChIKeyYRXFOKCNAKMPNQ-UHFFFAOYSA-N
MW502.30 g/mol
LogP9.10
Rot. Bonds2

About 1-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-3,5-bis(trifluoromethyl)benzene

1-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-3,5-bis(trifluoromethyl)benzene (PubChem CID 163216983) has the molecular formula C22H10F12 and a molecular weight of 502.30 g/mol. Its IUPAC name is 1-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-3,5-bis(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-3,5-bis(trifluoromethyl)benzene
PubChem CID163216983
Molecular FormulaC22H10F12
Molecular Weight502.30 g/mol
Exact Mass502.06
IUPAC Name1-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-3,5-bis(trifluoromethyl)benzene
SMILESFC(F)(F)c1cc(-c2ccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)cc(C(F)(F)F)c1
InChIInChI=1S/C22H10F12/c23-19(24,25)15-5-13(6-16(9-15)20(26,27)28)11-1-2-12(4-3-11)14-7-17(21(29,30)31)10-18(8-14)22(32,33)34/h1-10H
InChIKeyYRXFOKCNAKMPNQ-UHFFFAOYSA-N
XLogP9.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.30
LogP ≤ 59.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-[3,5-bis(trifluoromethyl)phenyl]-6-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]naphthalene
CID 169293746
1,3-bis(4-tert-butylphenyl)-5-(trifluoromethyl)benzene
CID 91806032
4-[3,5-bis(trifluoromethyl)phenyl]benzonitrile
CID 11381476
2-[3,5-bis(trifluoromethyl)phenyl]-7-(4-naphthalen-2-ylphenyl)naphthalene
CID 169294050
[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-hydroxy-di(propan-2-yl)silane
CID 90173471
[2,4-bis[3,5-bis(trifluoromethyl)phenyl]phenyl]phosphane
CID 140656274
3,6-bis[3,5-bis(trifluoromethyl)phenyl]-9H-carbazole
CID 175519372
1-[3-methyl-4-(trifluoromethyl)phenyl]-3,5-bis(trifluoromethyl)benzene
CID 169072324
4-[3,5-bis(trifluoromethyl)phenyl]benzenecarboximidamide
CID 34178690
3-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]benzonitrile
CID 165437699
3-(4-carboxyphenyl)-5-(trifluoromethyl)benzoic acid
CID 53226200
1-methyl-3-phenyl-5-(trifluoromethyl)benzene
CID 46315073

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-3,5-bis(trifluoromethyl)benzene?
The IUPAC name of 1-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-3,5-bis(trifluoromethyl)benzene (CID 163216983) is 1-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-3,5-bis(trifluoromethyl)benzene.
What is the SMILES notation for 1-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-3,5-bis(trifluoromethyl)benzene?
The canonical SMILES for 1-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-3,5-bis(trifluoromethyl)benzene is FC(F)(F)c1cc(-c2ccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)cc(C(F)(F)F)c1.
What is the InChIKey of 1-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-3,5-bis(trifluoromethyl)benzene?
The InChIKey is YRXFOKCNAKMPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H10F12/c23-19(24,25)15-5-13(6-16(9-15)20(26,27)28)11-1-2-12(4-3-11)14-7-17(21(29,30)31)10-18(8-14)22(32,33)34/h1-10H.
What are the key properties of 1-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-3,5-bis(trifluoromethyl)benzene?
1-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-3,5-bis(trifluoromethyl)benzene has a molecular weight of 502.30 g/mol, XLogP of 9.10, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-3,5-bis(trifluoromethyl)benzene is sourced from PubChem (CID 163216983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).