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

C24H31F7O — CID 22080061

IUPAC2-fluoro-1-(1,1,2,2,3,3-hexafluoropropoxy)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
SMILESCCCC1CCC(C2CCC(c3ccc(OC(F)(F)C(F)(F)C(F)F)c(F)c3)CC2)CC1
InChIInChI=1S/C24H31F7O/c1-2-3-15-4-6-16(7-5-15)17-8-10-18(11-9-17)19-12-13-21(20(25)14-19)32-24(30,31)23(28,29)22(26)27/h12-18,22H,2-11H2,1H3
InChIKeyWNDMGSAQGGDUGC-UHFFFAOYSA-N
MW468.50 g/mol
LogP8.58
Rot. Bonds8

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

2-fluoro-1-(1,1,2,2,3,3-hexafluoropropoxy)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene (PubChem CID 22080061) has the molecular formula C24H31F7O and a molecular weight of 468.50 g/mol. Its IUPAC name is 2-fluoro-1-(1,1,2,2,3,3-hexafluoropropoxy)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene.

Molecular Properties

Compound Name2-fluoro-1-(1,1,2,2,3,3-hexafluoropropoxy)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
PubChem CID22080061
Molecular FormulaC24H31F7O
Molecular Weight468.50 g/mol
Exact Mass468.23
IUPAC Name2-fluoro-1-(1,1,2,2,3,3-hexafluoropropoxy)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
SMILESCCCC1CCC(C2CCC(c3ccc(OC(F)(F)C(F)(F)C(F)F)c(F)c3)CC2)CC1
InChIInChI=1S/C24H31F7O/c1-2-3-15-4-6-16(7-5-15)17-8-10-18(11-9-17)19-12-13-21(20(25)14-19)32-24(30,31)23(28,29)22(26)27/h12-18,22H,2-11H2,1H3
InChIKeyWNDMGSAQGGDUGC-UHFFFAOYSA-N
XLogP8.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.50
LogP ≤ 58.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[3-fluoro-4-(1,1,2,2-tetrafluoroethoxy)phenyl]cyclohexyl]-5-(4-propylcyclohexyl)-1,3-dioxane
CID 20656713
2-fluoro-4-(3-propylcyclopentyl)-1-(trifluoromethoxy)benzene
CID 58555462
2-[3-fluoro-4-(trifluoromethoxy)phenyl]-7-propyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 22045467
2-fluoro-1-(fluoromethoxy)-4-(4-propylcyclohexyl)benzene
CID 70841823
2-(difluoromethyl)-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 15041745
1-(difluoromethoxy)-2-fluoro-4-[4-(4-hexylcyclohexyl)cyclohexyl]benzene
CID 18659075
2-fluoro-1-(1,1,2,3,3,3-hexafluoropropoxy)-4-(4-pentylcyclohexyl)benzene
CID 22080156
1-ethyl-2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 14693031
2-[4-[3-fluoro-4-[3-fluoro-4-(1,1,2,2-tetrafluoroethoxy)phenyl]phenyl]cyclohexyl]-5-propyl-1,3-dioxane
CID 20656717
2,4-difluoro-1-(1,1,2,2-tetrafluoroethoxy)benzene;1-(2-fluoroethyl)-4-(4-propylcyclohexyl)cyclohexane
CID 162134609
4-[4-[4-(2-cyclopentylbutyl)cyclohexyl]cyclohexyl]-2-fluoro-1-(trifluoromethoxy)benzene
CID 22446775
2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139867569

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-(1,1,2,2,3,3-hexafluoropropoxy)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
The IUPAC name of 2-fluoro-1-(1,1,2,2,3,3-hexafluoropropoxy)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene (CID 22080061) is 2-fluoro-1-(1,1,2,2,3,3-hexafluoropropoxy)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene.
What is the SMILES notation for 2-fluoro-1-(1,1,2,2,3,3-hexafluoropropoxy)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
The canonical SMILES for 2-fluoro-1-(1,1,2,2,3,3-hexafluoropropoxy)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene is CCCC1CCC(C2CCC(c3ccc(OC(F)(F)C(F)(F)C(F)F)c(F)c3)CC2)CC1.
What is the InChIKey of 2-fluoro-1-(1,1,2,2,3,3-hexafluoropropoxy)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
The InChIKey is WNDMGSAQGGDUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31F7O/c1-2-3-15-4-6-16(7-5-15)17-8-10-18(11-9-17)19-12-13-21(20(25)14-19)32-24(30,31)23(28,29)22(26)27/h12-18,22H,2-11H2,1H3.
What are the key properties of 2-fluoro-1-(1,1,2,2,3,3-hexafluoropropoxy)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
2-fluoro-1-(1,1,2,2,3,3-hexafluoropropoxy)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene has a molecular weight of 468.50 g/mol, XLogP of 8.58, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-(1,1,2,2,3,3-hexafluoropropoxy)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene is sourced from PubChem (CID 22080061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).