1,5-bis[2,5-bis(trifluoromethyl)phenyl]-2,4-bis(trifluoromethyl)benzene

C24H8F18 — CID 161467485

IUPAC1,5-bis[2,5-bis(trifluoromethyl)phenyl]-2,4-bis(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccc(C(F)(F)F)c(-c2cc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)c(C(F)(F)F)cc2C(F)(F)F)c1
InChIInChI=1S/C24H8F18/c25-19(26,27)9-1-3-15(21(31,32)33)11(5-9)13-7-14(18(24(40,41)42)8-17(13)23(37,38)39)12-6-10(20(28,29)30)2-4-16(12)22(34,35)36/h1-8H
InChIKeyMQHBLVCBOGHSEI-UHFFFAOYSA-N
MW638.29 g/mol
LogP11.13
Rot. Bonds2

About 1,5-bis[2,5-bis(trifluoromethyl)phenyl]-2,4-bis(trifluoromethyl)benzene

1,5-bis[2,5-bis(trifluoromethyl)phenyl]-2,4-bis(trifluoromethyl)benzene (PubChem CID 161467485) has the molecular formula C24H8F18 and a molecular weight of 638.29 g/mol. Its IUPAC name is 1,5-bis[2,5-bis(trifluoromethyl)phenyl]-2,4-bis(trifluoromethyl)benzene.

Molecular Properties

Compound Name1,5-bis[2,5-bis(trifluoromethyl)phenyl]-2,4-bis(trifluoromethyl)benzene
PubChem CID161467485
Molecular FormulaC24H8F18
Molecular Weight638.29 g/mol
Exact Mass638.03
IUPAC Name1,5-bis[2,5-bis(trifluoromethyl)phenyl]-2,4-bis(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccc(C(F)(F)F)c(-c2cc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)c(C(F)(F)F)cc2C(F)(F)F)c1
InChIInChI=1S/C24H8F18/c25-19(26,27)9-1-3-15(21(31,32)33)11(5-9)13-7-14(18(24(40,41)42)8-17(13)23(37,38)39)12-6-10(20(28,29)30)2-4-16(12)22(34,35)36/h1-8H
InChIKeyMQHBLVCBOGHSEI-UHFFFAOYSA-N
XLogP11.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.29
LogP ≤ 511.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,4-bis(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]benzene
CID 134617711
2-fluoro-1-[5-fluoro-2-(trifluoromethyl)phenyl]-4-(trifluoromethyl)benzene
CID 123582186
4-[2,5-bis(trifluoromethyl)phenyl]-1,3-thiazole
CID 91270161
5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]phenol
CID 118806468
1-(4-bromophenyl)-2,4-bis(trifluoromethyl)benzene
CID 173271329
2-bromo-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)benzene
CID 123549410
1-[2,5-bis(trifluoromethoxy)phenyl]-4-[2,5-bis(trifluoromethyl)phenyl]-2,5-dimethoxybenzene
CID 91446574
1-[2,4-bis(trifluoromethyl)phenyl]-3-methyl-5-(trifluoromethyl)benzene
CID 169072232
1-[5-[(E)-prop-1-enyl]-2-(trifluoromethyl)phenyl]-2-propyl-4-[2-propyl-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)benzene
CID 142247675
4-[2,5-bis(trifluoromethyl)phenyl]-1-oxido-1-azoniabicyclo[3.1.0]hex-3-ene
CID 88934209
3-[2,4-bis(trifluoromethyl)phenyl]furan
CID 141204154
5-[2,4-bis(trifluoromethyl)phenyl]-1H-pyrazole
CID 141155968

Frequently Asked Questions

What is the IUPAC name of 1,5-bis[2,5-bis(trifluoromethyl)phenyl]-2,4-bis(trifluoromethyl)benzene?
The IUPAC name of 1,5-bis[2,5-bis(trifluoromethyl)phenyl]-2,4-bis(trifluoromethyl)benzene (CID 161467485) is 1,5-bis[2,5-bis(trifluoromethyl)phenyl]-2,4-bis(trifluoromethyl)benzene.
What is the SMILES notation for 1,5-bis[2,5-bis(trifluoromethyl)phenyl]-2,4-bis(trifluoromethyl)benzene?
The canonical SMILES for 1,5-bis[2,5-bis(trifluoromethyl)phenyl]-2,4-bis(trifluoromethyl)benzene is FC(F)(F)c1ccc(C(F)(F)F)c(-c2cc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)c(C(F)(F)F)cc2C(F)(F)F)c1.
What is the InChIKey of 1,5-bis[2,5-bis(trifluoromethyl)phenyl]-2,4-bis(trifluoromethyl)benzene?
The InChIKey is MQHBLVCBOGHSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H8F18/c25-19(26,27)9-1-3-15(21(31,32)33)11(5-9)13-7-14(18(24(40,41)42)8-17(13)23(37,38)39)12-6-10(20(28,29)30)2-4-16(12)22(34,35)36/h1-8H.
What are the key properties of 1,5-bis[2,5-bis(trifluoromethyl)phenyl]-2,4-bis(trifluoromethyl)benzene?
1,5-bis[2,5-bis(trifluoromethyl)phenyl]-2,4-bis(trifluoromethyl)benzene has a molecular weight of 638.29 g/mol, XLogP of 11.13, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis[2,5-bis(trifluoromethyl)phenyl]-2,4-bis(trifluoromethyl)benzene is sourced from PubChem (CID 161467485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).