1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[[4-[4-(4-propylcyclohexyl)phenyl]phenoxy]methyl]benzene

C31H32F6O2 — CID 22080361

IUPAC1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[[4-[4-(4-propylcyclohexyl)phenyl]phenoxy]methyl]benzene
SMILESCCCC1CCC(c2ccc(-c3ccc(OCc4ccc(OC(F)(F)C(F)C(F)(F)F)cc4)cc3)cc2)CC1
InChIInChI=1S/C31H32F6O2/c1-2-3-21-4-8-23(9-5-21)24-10-12-25(13-11-24)26-14-18-27(19-15-26)38-20-22-6-16-28(17-7-22)39-31(36,37)29(32)30(33,34)35/h6-7,10-19,21,23,29H,2-5,8-9,20H2,1H3
InChIKeyWGXVOWSJMYLPIX-UHFFFAOYSA-N
MW550.58 g/mol
LogP9.88
Rot. Bonds10

About 1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[[4-[4-(4-propylcyclohexyl)phenyl]phenoxy]methyl]benzene

1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[[4-[4-(4-propylcyclohexyl)phenyl]phenoxy]methyl]benzene (PubChem CID 22080361) has the molecular formula C31H32F6O2 and a molecular weight of 550.58 g/mol. Its IUPAC name is 1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[[4-[4-(4-propylcyclohexyl)phenyl]phenoxy]methyl]benzene.

Molecular Properties

Compound Name1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[[4-[4-(4-propylcyclohexyl)phenyl]phenoxy]methyl]benzene
PubChem CID22080361
Molecular FormulaC31H32F6O2
Molecular Weight550.58 g/mol
Exact Mass550.23
IUPAC Name1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[[4-[4-(4-propylcyclohexyl)phenyl]phenoxy]methyl]benzene
SMILESCCCC1CCC(c2ccc(-c3ccc(OCc4ccc(OC(F)(F)C(F)C(F)(F)F)cc4)cc3)cc2)CC1
InChIInChI=1S/C31H32F6O2/c1-2-3-21-4-8-23(9-5-21)24-10-12-25(13-11-24)26-14-18-27(19-15-26)38-20-22-6-16-28(17-7-22)39-31(36,37)29(32)30(33,34)35/h6-7,10-19,21,23,29H,2-5,8-9,20H2,1H3
InChIKeyWGXVOWSJMYLPIX-UHFFFAOYSA-N
XLogP9.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.58
LogP ≤ 59.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[[4-[4-(4-propylcyclohexyl)phenyl]phenoxy]methyl]benzene with MolForge

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Related Compounds

1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[2-[4-(4-propylphenyl)cyclohexyl]ethyl]benzene
CID 22080079
1-[4-(2-ethoxyethyl)cyclohexyl]-4-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]benzene
CID 54515856
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
1,3-difluoro-2-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]-5-(4-propylcyclohexyl)benzene
CID 22080320
1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 22080296
2-fluoro-1-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 139656988
pentafluoro-[4-[[4-(4-propylcyclohexyl)phenyl]methoxy]phenyl]-λ6-sulfane
CID 88523486
1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]benzene
CID 22080335
1,2-difluoro-4-[[4-(4-propylcyclohexyl)phenyl]methoxy]benzene
CID 22440333
1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[4-[2-(4-hexylcyclohexyl)ethyl]phenyl]benzene
CID 22080212
1-[4-(ethoxymethoxy)cyclohexyl]-4-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]benzene
CID 22080230

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[[4-[4-(4-propylcyclohexyl)phenyl]phenoxy]methyl]benzene?
The IUPAC name of 1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[[4-[4-(4-propylcyclohexyl)phenyl]phenoxy]methyl]benzene (CID 22080361) is 1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[[4-[4-(4-propylcyclohexyl)phenyl]phenoxy]methyl]benzene.
What is the SMILES notation for 1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[[4-[4-(4-propylcyclohexyl)phenyl]phenoxy]methyl]benzene?
The canonical SMILES for 1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[[4-[4-(4-propylcyclohexyl)phenyl]phenoxy]methyl]benzene is CCCC1CCC(c2ccc(-c3ccc(OCc4ccc(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-propylcyclohexyl)phenyl]phenoxy]methyl]benzene?
The InChIKey is WGXVOWSJMYLPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32F6O2/c1-2-3-21-4-8-23(9-5-21)24-10-12-25(13-11-24)26-14-18-27(19-15-26)38-20-22-6-16-28(17-7-22)39-31(36,37)29(32)30(33,34)35/h6-7,10-19,21,23,29H,2-5,8-9,20H2,1H3.
What are the key properties of 1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[[4-[4-(4-propylcyclohexyl)phenyl]phenoxy]methyl]benzene?
1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[[4-[4-(4-propylcyclohexyl)phenyl]phenoxy]methyl]benzene has a molecular weight of 550.58 g/mol, XLogP of 9.88, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[[4-[4-(4-propylcyclohexyl)phenyl]phenoxy]methyl]benzene is sourced from PubChem (CID 22080361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).