1-(difluoromethoxy)-4-[[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-difluoromethoxy]-2-fluorobenzene

C24H27F5O2 — CID 70177772

IUPAC1-(difluoromethoxy)-4-[[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-difluoromethoxy]-2-fluorobenzene
SMILESCCC1CCC(CCc2ccc(C(F)(F)Oc3ccc(OC(F)F)c(F)c3)cc2)CC1
InChIInChI=1S/C24H27F5O2/c1-2-16-3-5-17(6-4-16)7-8-18-9-11-19(12-10-18)24(28,29)31-20-13-14-22(21(25)15-20)30-23(26)27/h9-17,23H,2-8H2,1H3
InChIKeyQEHWSLJIDLPRMZ-UHFFFAOYSA-N
MW442.47 g/mol
LogP7.70
Rot. Bonds9

About 1-(difluoromethoxy)-4-[[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-difluoromethoxy]-2-fluorobenzene

1-(difluoromethoxy)-4-[[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-difluoromethoxy]-2-fluorobenzene (PubChem CID 70177772) has the molecular formula C24H27F5O2 and a molecular weight of 442.47 g/mol. Its IUPAC name is 1-(difluoromethoxy)-4-[[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-difluoromethoxy]-2-fluorobenzene.

Molecular Properties

Compound Name1-(difluoromethoxy)-4-[[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-difluoromethoxy]-2-fluorobenzene
PubChem CID70177772
Molecular FormulaC24H27F5O2
Molecular Weight442.47 g/mol
Exact Mass442.19
IUPAC Name1-(difluoromethoxy)-4-[[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-difluoromethoxy]-2-fluorobenzene
SMILESCCC1CCC(CCc2ccc(C(F)(F)Oc3ccc(OC(F)F)c(F)c3)cc2)CC1
InChIInChI=1S/C24H27F5O2/c1-2-16-3-5-17(6-4-16)7-8-18-9-11-19(12-10-18)24(28,29)31-20-13-14-22(21(25)15-20)30-23(26)27/h9-17,23H,2-8H2,1H3
InChIKeyQEHWSLJIDLPRMZ-UHFFFAOYSA-N
XLogP7.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.47
LogP ≤ 57.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(difluoromethoxy)-4-[difluoro-[4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]phenyl]methoxy]benzene
CID 70177031
5-[difluoro-[4-[2-(4-nonylcyclohexyl)ethyl]phenyl]methoxy]-1,2,3-trifluorobenzene;5-[difluoro-[4-[2-(4-octylcyclohexyl)ethyl]phenyl]methoxy]-1,2,3-trifluorobenzene;methane
CID 162239496
1-(difluoromethoxy)-4-[[4-[4-(4-ethylcyclohexyl)cyclohexyl]phenyl]-difluoromethoxy]benzene
CID 70178197
4-[difluoro-(4-propylphenyl)methoxy]-2-fluoro-1-methylbenzene
CID 59933487
1-(difluoromethoxy)-4-[2-[difluoro-[4-(4-pentylcyclohexyl)phenyl]methoxy]phenyl]-2-fluorobenzene
CID 22941265
1-(difluoromethoxy)-2-fluoro-4-(trifluoromethoxy)benzene
CID 170836985
1-[2-(4-ethylcyclohexyl)ethyl]-4-(1,1,2,2,2-pentafluoroethoxy)benzene;1-(1,1,2,2,2-pentafluoroethoxy)-4-[2-(4-propylcyclohexyl)ethyl]benzene
CID 88635475
5-[[4-[4-(4-ethylcyclohexyl)phenyl]phenyl]-difluoromethoxy]-1,2,3-trifluorobenzene
CID 118136060
1-(difluoromethoxy)-4-[4-[2,2-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]phenyl]-2-fluorobenzene
CID 18344100
4-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1,2-difluorobenzene
CID 14993447
1-(difluoromethoxy)-2,4-difluorobenzene;1-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]-4-propylbenzene
CID 160926873
1-[4-(difluoromethoxy)-3-fluorophenoxy]-2,4-difluoro-3-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 173305630

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-4-[[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-difluoromethoxy]-2-fluorobenzene?
The IUPAC name of 1-(difluoromethoxy)-4-[[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-difluoromethoxy]-2-fluorobenzene (CID 70177772) is 1-(difluoromethoxy)-4-[[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-difluoromethoxy]-2-fluorobenzene.
What is the SMILES notation for 1-(difluoromethoxy)-4-[[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-difluoromethoxy]-2-fluorobenzene?
The canonical SMILES for 1-(difluoromethoxy)-4-[[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-difluoromethoxy]-2-fluorobenzene is CCC1CCC(CCc2ccc(C(F)(F)Oc3ccc(OC(F)F)c(F)c3)cc2)CC1.
What is the InChIKey of 1-(difluoromethoxy)-4-[[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-difluoromethoxy]-2-fluorobenzene?
The InChIKey is QEHWSLJIDLPRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F5O2/c1-2-16-3-5-17(6-4-16)7-8-18-9-11-19(12-10-18)24(28,29)31-20-13-14-22(21(25)15-20)30-23(26)27/h9-17,23H,2-8H2,1H3.
What are the key properties of 1-(difluoromethoxy)-4-[[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-difluoromethoxy]-2-fluorobenzene?
1-(difluoromethoxy)-4-[[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-difluoromethoxy]-2-fluorobenzene has a molecular weight of 442.47 g/mol, XLogP of 7.70, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-4-[[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-difluoromethoxy]-2-fluorobenzene is sourced from PubChem (CID 70177772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).