1-[4-[2-[3-chloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]ethyl]cyclohexyl]-2-fluoro-4-propylbenzene

C26H28ClF7O — CID 22080248

IUPAC1-[4-[2-[3-chloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]ethyl]cyclohexyl]-2-fluoro-4-propylbenzene
SMILESCCCc1ccc(C2CCC(CCc3ccc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c3)CC2)c(F)c1
InChIInChI=1S/C26H28ClF7O/c1-2-3-17-8-12-20(22(28)15-17)19-10-6-16(7-11-19)4-5-18-9-13-23(21(27)14-18)35-26(33,34)24(29)25(30,31)32/h8-9,12-16,19,24H,2-7,10-11H2,1H3
InChIKeyJDZLYEIYRDHUCI-UHFFFAOYSA-N
MW524.95 g/mol
LogP9.21
Rot. Bonds9

About 1-[4-[2-[3-chloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]ethyl]cyclohexyl]-2-fluoro-4-propylbenzene

1-[4-[2-[3-chloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]ethyl]cyclohexyl]-2-fluoro-4-propylbenzene (PubChem CID 22080248) has the molecular formula C26H28ClF7O and a molecular weight of 524.95 g/mol. Its IUPAC name is 1-[4-[2-[3-chloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]ethyl]cyclohexyl]-2-fluoro-4-propylbenzene.

Molecular Properties

Compound Name1-[4-[2-[3-chloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]ethyl]cyclohexyl]-2-fluoro-4-propylbenzene
PubChem CID22080248
Molecular FormulaC26H28ClF7O
Molecular Weight524.95 g/mol
Exact Mass524.17
IUPAC Name1-[4-[2-[3-chloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]ethyl]cyclohexyl]-2-fluoro-4-propylbenzene
SMILESCCCc1ccc(C2CCC(CCc3ccc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c3)CC2)c(F)c1
InChIInChI=1S/C26H28ClF7O/c1-2-3-17-8-12-20(22(28)15-17)19-10-6-16(7-11-19)4-5-18-9-13-23(21(27)14-18)35-26(33,34)24(29)25(30,31)32/h8-9,12-16,19,24H,2-7,10-11H2,1H3
InChIKeyJDZLYEIYRDHUCI-UHFFFAOYSA-N
XLogP9.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.95
LogP ≤ 59.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[4-[2-[3-chloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]ethyl]cyclohexyl]-2-fluoro-4-propylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[3-chloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]ethyl]cyclohexyl]-2-fluoro-4-propylbenzene?
The IUPAC name of 1-[4-[2-[3-chloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]ethyl]cyclohexyl]-2-fluoro-4-propylbenzene (CID 22080248) is 1-[4-[2-[3-chloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]ethyl]cyclohexyl]-2-fluoro-4-propylbenzene.
What is the SMILES notation for 1-[4-[2-[3-chloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]ethyl]cyclohexyl]-2-fluoro-4-propylbenzene?
The canonical SMILES for 1-[4-[2-[3-chloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]ethyl]cyclohexyl]-2-fluoro-4-propylbenzene is CCCc1ccc(C2CCC(CCc3ccc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c3)CC2)c(F)c1.
What is the InChIKey of 1-[4-[2-[3-chloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]ethyl]cyclohexyl]-2-fluoro-4-propylbenzene?
The InChIKey is JDZLYEIYRDHUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClF7O/c1-2-3-17-8-12-20(22(28)15-17)19-10-6-16(7-11-19)4-5-18-9-13-23(21(27)14-18)35-26(33,34)24(29)25(30,31)32/h8-9,12-16,19,24H,2-7,10-11H2,1H3.
What are the key properties of 1-[4-[2-[3-chloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]ethyl]cyclohexyl]-2-fluoro-4-propylbenzene?
1-[4-[2-[3-chloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]ethyl]cyclohexyl]-2-fluoro-4-propylbenzene has a molecular weight of 524.95 g/mol, XLogP of 9.21, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[3-chloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]ethyl]cyclohexyl]-2-fluoro-4-propylbenzene is sourced from PubChem (CID 22080248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).