1,3-difluoro-2-(1,1,2,3,3,3-hexafluoropropoxy)-5-[4-[4-(2-methoxyethyl)cyclohexyl]phenyl]benzene

C24H24F8O2 — CID 54167691

IUPAC1,3-difluoro-2-(1,1,2,3,3,3-hexafluoropropoxy)-5-[4-[4-(2-methoxyethyl)cyclohexyl]phenyl]benzene
SMILESCOCCC1CCC(c2ccc(-c3cc(F)c(OC(F)(F)C(F)C(F)(F)F)c(F)c3)cc2)CC1
InChIInChI=1S/C24H24F8O2/c1-33-11-10-14-2-4-15(5-3-14)16-6-8-17(9-7-16)18-12-19(25)21(20(26)13-18)34-24(31,32)22(27)23(28,29)30/h6-9,12-15,22H,2-5,10-11H2,1H3
InChIKeyOSUMYERVJWECJS-UHFFFAOYSA-N
MW496.44 g/mol
LogP7.81
Rot. Bonds8

About 1,3-difluoro-2-(1,1,2,3,3,3-hexafluoropropoxy)-5-[4-[4-(2-methoxyethyl)cyclohexyl]phenyl]benzene

1,3-difluoro-2-(1,1,2,3,3,3-hexafluoropropoxy)-5-[4-[4-(2-methoxyethyl)cyclohexyl]phenyl]benzene (PubChem CID 54167691) has the molecular formula C24H24F8O2 and a molecular weight of 496.44 g/mol. Its IUPAC name is 1,3-difluoro-2-(1,1,2,3,3,3-hexafluoropropoxy)-5-[4-[4-(2-methoxyethyl)cyclohexyl]phenyl]benzene.

Molecular Properties

Compound Name1,3-difluoro-2-(1,1,2,3,3,3-hexafluoropropoxy)-5-[4-[4-(2-methoxyethyl)cyclohexyl]phenyl]benzene
PubChem CID54167691
Molecular FormulaC24H24F8O2
Molecular Weight496.44 g/mol
Exact Mass496.16
IUPAC Name1,3-difluoro-2-(1,1,2,3,3,3-hexafluoropropoxy)-5-[4-[4-(2-methoxyethyl)cyclohexyl]phenyl]benzene
SMILESCOCCC1CCC(c2ccc(-c3cc(F)c(OC(F)(F)C(F)C(F)(F)F)c(F)c3)cc2)CC1
InChIInChI=1S/C24H24F8O2/c1-33-11-10-14-2-4-15(5-3-14)16-6-8-17(9-7-16)18-12-19(25)21(20(26)13-18)34-24(31,32)22(27)23(28,29)30/h6-9,12-15,22H,2-5,10-11H2,1H3
InChIKeyOSUMYERVJWECJS-UHFFFAOYSA-N
XLogP7.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.44
LogP ≤ 57.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-difluoro-2-(1,1,2,3,3,3-hexafluoropropoxy)-5-[4-[2-[4-(methoxymethyl)cyclohexyl]ethyl]phenyl]benzene
CID 22080411
4-[4-(4-butylcyclohexyl)phenyl]-2-fluoro-1-(1,1,2,3,3,3-hexafluoropropoxy)benzene
CID 22080372
1,3-difluoro-5-[4-(4-fluorocyclohexyl)phenyl]-2-(1,1,2,2-tetrafluoroethoxy)benzene
CID 18344011
1-[4-(2-ethoxyethyl)cyclohexyl]-4-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]benzene
CID 54515856
1,3-difluoro-5-[4-(4-pentylcyclohexyl)phenyl]-2-(trifluoromethoxy)benzene
CID 175686006
1,3-difluoro-2-(1,1,2,3,3,3-hexafluoropropoxy)-5-(4-methylphenyl)benzene
CID 21026826
2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1,3-difluoro-5-[4-(4-propylcyclohexyl)phenyl]benzene;ethane
CID 144714438
2-fluoro-1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[4-[2-[4-(4-pentylphenyl)cyclohexyl]ethyl]phenyl]benzene
CID 22080455
2-fluoro-1-(1,1,2,3,3,3-hexafluoropropoxy)-4-(4-pentylcyclohexyl)benzene
CID 22080156
1,3-difluoro-2-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]-5-(4-propylcyclohexyl)benzene
CID 22080320
2-[4-[3,5-difluoro-4-(trifluoromethoxy)phenyl]phenyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22383228
2-[3,5-difluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]-1,3-difluoro-5-[2-[4-(methoxymethoxy)cyclohexyl]ethyl]benzene
CID 22080080

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2-(1,1,2,3,3,3-hexafluoropropoxy)-5-[4-[4-(2-methoxyethyl)cyclohexyl]phenyl]benzene?
The IUPAC name of 1,3-difluoro-2-(1,1,2,3,3,3-hexafluoropropoxy)-5-[4-[4-(2-methoxyethyl)cyclohexyl]phenyl]benzene (CID 54167691) is 1,3-difluoro-2-(1,1,2,3,3,3-hexafluoropropoxy)-5-[4-[4-(2-methoxyethyl)cyclohexyl]phenyl]benzene.
What is the SMILES notation for 1,3-difluoro-2-(1,1,2,3,3,3-hexafluoropropoxy)-5-[4-[4-(2-methoxyethyl)cyclohexyl]phenyl]benzene?
The canonical SMILES for 1,3-difluoro-2-(1,1,2,3,3,3-hexafluoropropoxy)-5-[4-[4-(2-methoxyethyl)cyclohexyl]phenyl]benzene is COCCC1CCC(c2ccc(-c3cc(F)c(OC(F)(F)C(F)C(F)(F)F)c(F)c3)cc2)CC1.
What is the InChIKey of 1,3-difluoro-2-(1,1,2,3,3,3-hexafluoropropoxy)-5-[4-[4-(2-methoxyethyl)cyclohexyl]phenyl]benzene?
The InChIKey is OSUMYERVJWECJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F8O2/c1-33-11-10-14-2-4-15(5-3-14)16-6-8-17(9-7-16)18-12-19(25)21(20(26)13-18)34-24(31,32)22(27)23(28,29)30/h6-9,12-15,22H,2-5,10-11H2,1H3.
What are the key properties of 1,3-difluoro-2-(1,1,2,3,3,3-hexafluoropropoxy)-5-[4-[4-(2-methoxyethyl)cyclohexyl]phenyl]benzene?
1,3-difluoro-2-(1,1,2,3,3,3-hexafluoropropoxy)-5-[4-[4-(2-methoxyethyl)cyclohexyl]phenyl]benzene has a molecular weight of 496.44 g/mol, XLogP of 7.81, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-2-(1,1,2,3,3,3-hexafluoropropoxy)-5-[4-[4-(2-methoxyethyl)cyclohexyl]phenyl]benzene is sourced from PubChem (CID 54167691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).