1,4-dichloro-2-[1,1,1,3,3,3-hexafluoro-2-[4-(4-phenylphenoxy)phenyl]propan-2-yl]benzene

C27H16Cl2F6O — CID 58658214

IUPAC1,4-dichloro-2-[1,1,1,3,3,3-hexafluoro-2-[4-(4-phenylphenoxy)phenyl]propan-2-yl]benzene
SMILESFC(F)(F)C(c1ccc(Oc2ccc(-c3ccccc3)cc2)cc1)(c1cc(Cl)ccc1Cl)C(F)(F)F
InChIInChI=1S/C27H16Cl2F6O/c28-20-10-15-24(29)23(16-20)25(26(30,31)32,27(33,34)35)19-8-13-22(14-9-19)36-21-11-6-18(7-12-21)17-4-2-1-3-5-17/h1-16H
InChIKeyLEZOBFOLZHNEKO-UHFFFAOYSA-N
MW541.32 g/mol
LogP9.86
Rot. Bonds5

About 1,4-dichloro-2-[1,1,1,3,3,3-hexafluoro-2-[4-(4-phenylphenoxy)phenyl]propan-2-yl]benzene

1,4-dichloro-2-[1,1,1,3,3,3-hexafluoro-2-[4-(4-phenylphenoxy)phenyl]propan-2-yl]benzene (PubChem CID 58658214) has the molecular formula C27H16Cl2F6O and a molecular weight of 541.32 g/mol. Its IUPAC name is 1,4-dichloro-2-[1,1,1,3,3,3-hexafluoro-2-[4-(4-phenylphenoxy)phenyl]propan-2-yl]benzene.

Molecular Properties

Compound Name1,4-dichloro-2-[1,1,1,3,3,3-hexafluoro-2-[4-(4-phenylphenoxy)phenyl]propan-2-yl]benzene
PubChem CID58658214
Molecular FormulaC27H16Cl2F6O
Molecular Weight541.32 g/mol
Exact Mass540.05
IUPAC Name1,4-dichloro-2-[1,1,1,3,3,3-hexafluoro-2-[4-(4-phenylphenoxy)phenyl]propan-2-yl]benzene
SMILESFC(F)(F)C(c1ccc(Oc2ccc(-c3ccccc3)cc2)cc1)(c1cc(Cl)ccc1Cl)C(F)(F)F
InChIInChI=1S/C27H16Cl2F6O/c28-20-10-15-24(29)23(16-20)25(26(30,31)32,27(33,34)35)19-8-13-22(14-9-19)36-21-11-6-18(7-12-21)17-4-2-1-3-5-17/h1-16H
InChIKeyLEZOBFOLZHNEKO-UHFFFAOYSA-N
XLogP9.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.32
LogP ≤ 59.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,4-dichloro-2-[1,1,1,3,3,3-hexafluoro-2-[4-(4-phenylphenoxy)phenyl]propan-2-yl]benzene?
The IUPAC name of 1,4-dichloro-2-[1,1,1,3,3,3-hexafluoro-2-[4-(4-phenylphenoxy)phenyl]propan-2-yl]benzene (CID 58658214) is 1,4-dichloro-2-[1,1,1,3,3,3-hexafluoro-2-[4-(4-phenylphenoxy)phenyl]propan-2-yl]benzene.
What is the SMILES notation for 1,4-dichloro-2-[1,1,1,3,3,3-hexafluoro-2-[4-(4-phenylphenoxy)phenyl]propan-2-yl]benzene?
The canonical SMILES for 1,4-dichloro-2-[1,1,1,3,3,3-hexafluoro-2-[4-(4-phenylphenoxy)phenyl]propan-2-yl]benzene is FC(F)(F)C(c1ccc(Oc2ccc(-c3ccccc3)cc2)cc1)(c1cc(Cl)ccc1Cl)C(F)(F)F.
What is the InChIKey of 1,4-dichloro-2-[1,1,1,3,3,3-hexafluoro-2-[4-(4-phenylphenoxy)phenyl]propan-2-yl]benzene?
The InChIKey is LEZOBFOLZHNEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H16Cl2F6O/c28-20-10-15-24(29)23(16-20)25(26(30,31)32,27(33,34)35)19-8-13-22(14-9-19)36-21-11-6-18(7-12-21)17-4-2-1-3-5-17/h1-16H.
What are the key properties of 1,4-dichloro-2-[1,1,1,3,3,3-hexafluoro-2-[4-(4-phenylphenoxy)phenyl]propan-2-yl]benzene?
1,4-dichloro-2-[1,1,1,3,3,3-hexafluoro-2-[4-(4-phenylphenoxy)phenyl]propan-2-yl]benzene has a molecular weight of 541.32 g/mol, XLogP of 9.86, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichloro-2-[1,1,1,3,3,3-hexafluoro-2-[4-(4-phenylphenoxy)phenyl]propan-2-yl]benzene is sourced from PubChem (CID 58658214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).