1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexyl]benzene

C32H46F6O — CID 22080296

IUPAC1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexyl]benzene
SMILESCCCCCC1CCC(C2CCC(C3CCC(c4ccc(OC(F)(F)C(F)C(F)(F)F)cc4)CC3)CC2)CC1
InChIInChI=1S/C32H46F6O/c1-2-3-4-5-22-6-8-23(9-7-22)24-10-12-25(13-11-24)26-14-16-27(17-15-26)28-18-20-29(21-19-28)39-32(37,38)30(33)31(34,35)36/h18-27,30H,2-17H2,1H3
InChIKeyWWPYCQUCTMAETD-UHFFFAOYSA-N
MW560.71 g/mol
LogP11.03
Rot. Bonds10

About 1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexyl]benzene

1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexyl]benzene (PubChem CID 22080296) has the molecular formula C32H46F6O and a molecular weight of 560.71 g/mol. Its IUPAC name is 1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexyl]benzene.

Molecular Properties

Compound Name1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexyl]benzene
PubChem CID22080296
Molecular FormulaC32H46F6O
Molecular Weight560.71 g/mol
Exact Mass560.35
IUPAC Name1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexyl]benzene
SMILESCCCCCC1CCC(C2CCC(C3CCC(c4ccc(OC(F)(F)C(F)C(F)(F)F)cc4)CC3)CC2)CC1
InChIInChI=1S/C32H46F6O/c1-2-3-4-5-22-6-8-23(9-7-22)24-10-12-25(13-11-24)26-14-16-27(17-15-26)28-18-20-29(21-19-28)39-32(37,38)30(33)31(34,35)36/h18-27,30H,2-17H2,1H3
InChIKeyWWPYCQUCTMAETD-UHFFFAOYSA-N
XLogP11.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.71
LogP ≤ 511.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexyl]benzene with MolForge

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

Launch Full Analysis

Related Compounds

1-(4-heptylcyclohexyl)-4-(1,1,2,3,3,3-hexafluoropropoxy)benzene
CID 23193009
1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[2-[4-(4-pentylphenyl)cyclohexyl]ethyl]benzene
CID 22080337
(4aR,6R,8aR)-2-pentyl-6-[4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 20809423
1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[2-[4-(4-propylphenyl)cyclohexyl]ethyl]benzene
CID 22080079
1-[4-(4-decylcyclohexyl)cyclohexyl]-4-(difluoromethoxy)benzene
CID 18658967
1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]benzene
CID 22080335
2-fluoro-1-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 139656988
2-fluoro-1-(1,1,2,3,3,3-hexafluoropropoxy)-4-(4-pentylcyclohexyl)benzene
CID 22080156
1-[4-(2-ethoxyethyl)cyclohexyl]-4-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]benzene
CID 54515856
1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[4-[2-(4-hexylcyclohexyl)ethyl]phenyl]benzene
CID 22080212
1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[[4-[4-(4-propylcyclohexyl)phenyl]phenoxy]methyl]benzene
CID 22080361
1-ethoxy-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene
CID 18605125

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexyl]benzene?
The IUPAC name of 1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexyl]benzene (CID 22080296) is 1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexyl]benzene.
What is the SMILES notation for 1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexyl]benzene?
The canonical SMILES for 1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexyl]benzene is CCCCCC1CCC(C2CCC(C3CCC(c4ccc(OC(F)(F)C(F)C(F)(F)F)cc4)CC3)CC2)CC1.
What is the InChIKey of 1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexyl]benzene?
The InChIKey is WWPYCQUCTMAETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H46F6O/c1-2-3-4-5-22-6-8-23(9-7-22)24-10-12-25(13-11-24)26-14-16-27(17-15-26)28-18-20-29(21-19-28)39-32(37,38)30(33)31(34,35)36/h18-27,30H,2-17H2,1H3.
What are the key properties of 1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexyl]benzene?
1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexyl]benzene has a molecular weight of 560.71 g/mol, XLogP of 11.03, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexyl]benzene is sourced from PubChem (CID 22080296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).