1,3-difluoro-2-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]-5-(4-propylcyclohexyl)benzene

C24H24F8O — CID 22080320

IUPAC1,3-difluoro-2-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]-5-(4-propylcyclohexyl)benzene
SMILESCCCC1CCC(c2cc(F)c(-c3ccc(OC(F)(F)C(F)C(F)(F)F)cc3)c(F)c2)CC1
InChIInChI=1S/C24H24F8O/c1-2-3-14-4-6-15(7-5-14)17-12-19(25)21(20(26)13-17)16-8-10-18(11-9-16)33-24(31,32)22(27)23(28,29)30/h8-15,22H,2-7H2,1H3
InChIKeyGMWKCYQCPKVHLP-UHFFFAOYSA-N
MW480.44 g/mol
LogP8.58
Rot. Bonds7

About 1,3-difluoro-2-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]-5-(4-propylcyclohexyl)benzene

1,3-difluoro-2-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]-5-(4-propylcyclohexyl)benzene (PubChem CID 22080320) has the molecular formula C24H24F8O and a molecular weight of 480.44 g/mol. Its IUPAC name is 1,3-difluoro-2-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]-5-(4-propylcyclohexyl)benzene.

Molecular Properties

Compound Name1,3-difluoro-2-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]-5-(4-propylcyclohexyl)benzene
PubChem CID22080320
Molecular FormulaC24H24F8O
Molecular Weight480.44 g/mol
Exact Mass480.17
IUPAC Name1,3-difluoro-2-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]-5-(4-propylcyclohexyl)benzene
SMILESCCCC1CCC(c2cc(F)c(-c3ccc(OC(F)(F)C(F)C(F)(F)F)cc3)c(F)c2)CC1
InChIInChI=1S/C24H24F8O/c1-2-3-14-4-6-15(7-5-14)17-12-19(25)21(20(26)13-17)16-8-10-18(11-9-16)33-24(31,32)22(27)23(28,29)30/h8-15,22H,2-7H2,1H3
InChIKeyGMWKCYQCPKVHLP-UHFFFAOYSA-N
XLogP8.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.44
LogP ≤ 58.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]-5-(4-propylcyclohexyl)benzene?
The IUPAC name of 1,3-difluoro-2-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]-5-(4-propylcyclohexyl)benzene (CID 22080320) is 1,3-difluoro-2-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]-5-(4-propylcyclohexyl)benzene.
What is the SMILES notation for 1,3-difluoro-2-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]-5-(4-propylcyclohexyl)benzene?
The canonical SMILES for 1,3-difluoro-2-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]-5-(4-propylcyclohexyl)benzene is CCCC1CCC(c2cc(F)c(-c3ccc(OC(F)(F)C(F)C(F)(F)F)cc3)c(F)c2)CC1.
What is the InChIKey of 1,3-difluoro-2-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]-5-(4-propylcyclohexyl)benzene?
The InChIKey is GMWKCYQCPKVHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F8O/c1-2-3-14-4-6-15(7-5-14)17-12-19(25)21(20(26)13-17)16-8-10-18(11-9-16)33-24(31,32)22(27)23(28,29)30/h8-15,22H,2-7H2,1H3.
What are the key properties of 1,3-difluoro-2-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]-5-(4-propylcyclohexyl)benzene?
1,3-difluoro-2-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]-5-(4-propylcyclohexyl)benzene has a molecular weight of 480.44 g/mol, XLogP of 8.58, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-2-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]-5-(4-propylcyclohexyl)benzene is sourced from PubChem (CID 22080320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).