1-chloro-4-[2-(4-chlorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene

C15H8Cl2F6 — CID 22023796

IUPAC1-chloro-4-[2-(4-chlorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene
SMILESFC(F)(F)C(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C15H8Cl2F6/c16-11-5-1-9(2-6-11)13(14(18,19)20,15(21,22)23)10-3-7-12(17)8-4-10/h1-8H
InChIKeyRXMGEHVYVGPSSN-UHFFFAOYSA-N
MW373.12 g/mol
LogP6.40
Rot. Bonds2

About 1-chloro-4-[2-(4-chlorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene

1-chloro-4-[2-(4-chlorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene (PubChem CID 22023796) has the molecular formula C15H8Cl2F6 and a molecular weight of 373.12 g/mol. Its IUPAC name is 1-chloro-4-[2-(4-chlorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene.

Molecular Properties

Compound Name1-chloro-4-[2-(4-chlorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene
PubChem CID22023796
Molecular FormulaC15H8Cl2F6
Molecular Weight373.12 g/mol
Exact Mass371.99
IUPAC Name1-chloro-4-[2-(4-chlorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene
SMILESFC(F)(F)C(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C15H8Cl2F6/c16-11-5-1-9(2-6-11)13(14(18,19)20,15(21,22)23)10-3-7-12(17)8-4-10/h1-8H
InChIKeyRXMGEHVYVGPSSN-UHFFFAOYSA-N
XLogP6.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.12
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

P,P'-ddd
CID 6294
1-Chloro-4-(2,2,2-trichloro-1-(4-chlorophenyl)ethyl)benzene
CID 3036
P,P'-dde
CID 3035
O,P'-Ddt
CID 13089
O,P'-Dde
CID 246598
3,3'-Dichlorobiphenyl
CID 16307
4-Chlorobiphenyl
CID 16323
2,2'-Dichlorobiphenyl
CID 25622
2,4'-Dichlorobiphenyl
CID 36982
2,4,4'-Trichlorobiphenyl
CID 23448
p,p'-DDMS
CID 17532
4,4'-Dichlorobiphenyl
CID 16308

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[2-(4-chlorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene?
The IUPAC name of 1-chloro-4-[2-(4-chlorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene (CID 22023796) is 1-chloro-4-[2-(4-chlorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene.
What is the SMILES notation for 1-chloro-4-[2-(4-chlorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene?
The canonical SMILES for 1-chloro-4-[2-(4-chlorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene is FC(F)(F)C(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)C(F)(F)F.
What is the InChIKey of 1-chloro-4-[2-(4-chlorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene?
The InChIKey is RXMGEHVYVGPSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2F6/c16-11-5-1-9(2-6-11)13(14(18,19)20,15(21,22)23)10-3-7-12(17)8-4-10/h1-8H.
What are the key properties of 1-chloro-4-[2-(4-chlorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene?
1-chloro-4-[2-(4-chlorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene has a molecular weight of 373.12 g/mol, XLogP of 6.40, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[2-(4-chlorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene is sourced from PubChem (CID 22023796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).