2,4-difluoro-1-(1,1,2,2-tetrafluoroethoxy)benzene;1-(2-fluoroethyl)-4-(4-propylcyclohexyl)cyclohexane

C25H35F7O — CID 162134609

IUPAC2,4-difluoro-1-(1,1,2,2-tetrafluoroethoxy)benzene;1-(2-fluoroethyl)-4-(4-propylcyclohexyl)cyclohexane
SMILESCCCC1CCC(C2CCC(CCF)CC2)CC1.Fc1ccc(OC(F)(F)C(F)F)c(F)c1
InChIInChI=1S/C17H31F.C8H4F6O/c1-2-3-14-4-8-16(9-5-14)17-10-6-15(7-11-17)12-13-18;9-4-1-2-6(5(10)3-4)15-8(13,14)7(11)12/h14-17H,2-13H2,1H3;1-3,7H
InChIKeyZJCKNSZXSBIUID-UHFFFAOYSA-N
MW484.54 g/mol
LogP8.96
Rot. Bonds8

About 2,4-difluoro-1-(1,1,2,2-tetrafluoroethoxy)benzene;1-(2-fluoroethyl)-4-(4-propylcyclohexyl)cyclohexane

2,4-difluoro-1-(1,1,2,2-tetrafluoroethoxy)benzene;1-(2-fluoroethyl)-4-(4-propylcyclohexyl)cyclohexane (PubChem CID 162134609) has the molecular formula C25H35F7O and a molecular weight of 484.54 g/mol. Its IUPAC name is 2,4-difluoro-1-(1,1,2,2-tetrafluoroethoxy)benzene;1-(2-fluoroethyl)-4-(4-propylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name2,4-difluoro-1-(1,1,2,2-tetrafluoroethoxy)benzene;1-(2-fluoroethyl)-4-(4-propylcyclohexyl)cyclohexane
PubChem CID162134609
Molecular FormulaC25H35F7O
Molecular Weight484.54 g/mol
Exact Mass484.26
IUPAC Name2,4-difluoro-1-(1,1,2,2-tetrafluoroethoxy)benzene;1-(2-fluoroethyl)-4-(4-propylcyclohexyl)cyclohexane
SMILESCCCC1CCC(C2CCC(CCF)CC2)CC1.Fc1ccc(OC(F)(F)C(F)F)c(F)c1
InChIInChI=1S/C17H31F.C8H4F6O/c1-2-3-14-4-8-16(9-5-14)17-10-6-15(7-11-17)12-13-18;9-4-1-2-6(5(10)3-4)15-8(13,14)7(11)12/h14-17H,2-13H2,1H3;1-3,7H
InChIKeyZJCKNSZXSBIUID-UHFFFAOYSA-N
XLogP8.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.54
LogP ≤ 58.96
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-1-(1,1,2,2,3,3-hexafluoropropoxy)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 22080061
1-(difluoromethoxy)-2,4-difluorobenzene;1-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]-4-propylbenzene
CID 160926873
1-(2-fluoroethyl)-4-(4-propylcyclohexyl)cyclohexane
CID 18344046
1-[4-(2-fluoroethyl)cyclohexyl]-4-(4-propylcyclohexyl)cyclohexane
CID 18344057
2-[2-[3-fluoro-4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]-5-propyl-1,3-dioxane
CID 20656604
1-chloro-2-fluoro-4-(4-fluorophenyl)benzene;1-(2-fluoroethyl)-4-(4-propylcyclohexyl)cyclohexane
CID 158500295
1-[(4-butylcyclohexyl)methoxy]-2,4-difluorobenzene
CID 67806514
2-[4-[3-fluoro-4-[3-fluoro-4-(1,1,2,2-tetrafluoroethoxy)phenyl]phenyl]cyclohexyl]-5-propyl-1,3-dioxane
CID 20656717
2-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22383221
2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-1-(trifluoromethoxy)benzene
CID 165341497
4-[difluoro-[4-[4-(3-propylcyclopentyl)cyclohexyl]cyclohexyl]methoxy]-2-fluoro-1-(trifluoromethoxy)benzene
CID 58555559

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-1-(1,1,2,2-tetrafluoroethoxy)benzene;1-(2-fluoroethyl)-4-(4-propylcyclohexyl)cyclohexane?
The IUPAC name of 2,4-difluoro-1-(1,1,2,2-tetrafluoroethoxy)benzene;1-(2-fluoroethyl)-4-(4-propylcyclohexyl)cyclohexane (CID 162134609) is 2,4-difluoro-1-(1,1,2,2-tetrafluoroethoxy)benzene;1-(2-fluoroethyl)-4-(4-propylcyclohexyl)cyclohexane.
What is the SMILES notation for 2,4-difluoro-1-(1,1,2,2-tetrafluoroethoxy)benzene;1-(2-fluoroethyl)-4-(4-propylcyclohexyl)cyclohexane?
The canonical SMILES for 2,4-difluoro-1-(1,1,2,2-tetrafluoroethoxy)benzene;1-(2-fluoroethyl)-4-(4-propylcyclohexyl)cyclohexane is CCCC1CCC(C2CCC(CCF)CC2)CC1.Fc1ccc(OC(F)(F)C(F)F)c(F)c1.
What is the InChIKey of 2,4-difluoro-1-(1,1,2,2-tetrafluoroethoxy)benzene;1-(2-fluoroethyl)-4-(4-propylcyclohexyl)cyclohexane?
The InChIKey is ZJCKNSZXSBIUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31F.C8H4F6O/c1-2-3-14-4-8-16(9-5-14)17-10-6-15(7-11-17)12-13-18;9-4-1-2-6(5(10)3-4)15-8(13,14)7(11)12/h14-17H,2-13H2,1H3;1-3,7H.
What are the key properties of 2,4-difluoro-1-(1,1,2,2-tetrafluoroethoxy)benzene;1-(2-fluoroethyl)-4-(4-propylcyclohexyl)cyclohexane?
2,4-difluoro-1-(1,1,2,2-tetrafluoroethoxy)benzene;1-(2-fluoroethyl)-4-(4-propylcyclohexyl)cyclohexane has a molecular weight of 484.54 g/mol, XLogP of 8.96, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-1-(1,1,2,2-tetrafluoroethoxy)benzene;1-(2-fluoroethyl)-4-(4-propylcyclohexyl)cyclohexane is sourced from PubChem (CID 162134609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).