1-[4-(difluoromethoxy)-3-fluorophenoxy]-2,4-difluoro-3-[4-(4-propylcyclohexyl)cyclohexyl]benzene

C28H33F5O2 — CID 173305630

IUPAC1-[4-(difluoromethoxy)-3-fluorophenoxy]-2,4-difluoro-3-[4-(4-propylcyclohexyl)cyclohexyl]benzene
SMILESCCCC1CCC(C2CCC(c3c(F)ccc(Oc4ccc(OC(F)F)c(F)c4)c3F)CC2)CC1
InChIInChI=1S/C28H33F5O2/c1-2-3-17-4-6-18(7-5-17)19-8-10-20(11-9-19)26-22(29)13-15-25(27(26)31)34-21-12-14-24(23(30)16-21)35-28(32)33/h12-20,28H,2-11H2,1H3
InChIKeyUYGWJCBRDYIMFZ-UHFFFAOYSA-N
MW496.56 g/mol
LogP9.38
Rot. Bonds8

About 1-[4-(difluoromethoxy)-3-fluorophenoxy]-2,4-difluoro-3-[4-(4-propylcyclohexyl)cyclohexyl]benzene

1-[4-(difluoromethoxy)-3-fluorophenoxy]-2,4-difluoro-3-[4-(4-propylcyclohexyl)cyclohexyl]benzene (PubChem CID 173305630) has the molecular formula C28H33F5O2 and a molecular weight of 496.56 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)-3-fluorophenoxy]-2,4-difluoro-3-[4-(4-propylcyclohexyl)cyclohexyl]benzene.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)-3-fluorophenoxy]-2,4-difluoro-3-[4-(4-propylcyclohexyl)cyclohexyl]benzene
PubChem CID173305630
Molecular FormulaC28H33F5O2
Molecular Weight496.56 g/mol
Exact Mass496.24
IUPAC Name1-[4-(difluoromethoxy)-3-fluorophenoxy]-2,4-difluoro-3-[4-(4-propylcyclohexyl)cyclohexyl]benzene
SMILESCCCC1CCC(C2CCC(c3c(F)ccc(Oc4ccc(OC(F)F)c(F)c4)c3F)CC2)CC1
InChIInChI=1S/C28H33F5O2/c1-2-3-17-4-6-18(7-5-17)19-8-10-20(11-9-19)26-22(29)13-15-25(27(26)31)34-21-12-14-24(23(30)16-21)35-28(32)33/h12-20,28H,2-11H2,1H3
InChIKeyUYGWJCBRDYIMFZ-UHFFFAOYSA-N
XLogP9.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.56
LogP ≤ 59.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[4-(difluoromethoxy)-3-fluorophenoxy]-2,4-difluoro-3-[4-(4-propylcyclohexyl)cyclohexyl]benzene with MolForge

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Related Compounds

1,3-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-4-[4-(trifluoromethyl)phenoxy]benzene
CID 173305574
2-[4-(4-butylcyclohexyl)cyclohexyl]-1,3-difluoro-4-[3-fluoro-4-(trifluoromethoxy)phenoxy]benzene
CID 173305794
2-[4-(4-ethylcyclohexyl)cyclohexyl]-1,3-difluoro-4-(3,4,5-trifluorophenoxy)benzene
CID 173305887
1-(difluoromethoxy)-2-fluoro-4-[4-(4-hexylcyclohexyl)cyclohexyl]benzene
CID 18659075
4-chloro-2-(difluoromethoxy)-1-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene
CID 139947205
4-chloro-2-(difluoromethoxy)-1-[4-(4-hexylcyclohexyl)cyclohexyl]benzene
CID 139947282
1-(difluoromethoxy)-4-[4-[2,2-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]phenyl]-2-fluorobenzene
CID 18344100
2-(difluoromethoxy)-1,3-difluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]naphthalene
CID 58839716
1-(difluoromethoxy)-2,4-difluorobenzene;1-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]-4-propylbenzene
CID 160926873
(2R,4aR,8aR)-2-[4-[4-(difluoromethoxy)phenyl]-3,5-difluorophenyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 20808973
7-(difluoromethoxy)-1,6-difluoro-3-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene
CID 22384430
2-fluoro-1-(1,1,2,2,3,3-hexafluoropropoxy)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 22080061

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)-3-fluorophenoxy]-2,4-difluoro-3-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
The IUPAC name of 1-[4-(difluoromethoxy)-3-fluorophenoxy]-2,4-difluoro-3-[4-(4-propylcyclohexyl)cyclohexyl]benzene (CID 173305630) is 1-[4-(difluoromethoxy)-3-fluorophenoxy]-2,4-difluoro-3-[4-(4-propylcyclohexyl)cyclohexyl]benzene.
What is the SMILES notation for 1-[4-(difluoromethoxy)-3-fluorophenoxy]-2,4-difluoro-3-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
The canonical SMILES for 1-[4-(difluoromethoxy)-3-fluorophenoxy]-2,4-difluoro-3-[4-(4-propylcyclohexyl)cyclohexyl]benzene is CCCC1CCC(C2CCC(c3c(F)ccc(Oc4ccc(OC(F)F)c(F)c4)c3F)CC2)CC1.
What is the InChIKey of 1-[4-(difluoromethoxy)-3-fluorophenoxy]-2,4-difluoro-3-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
The InChIKey is UYGWJCBRDYIMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33F5O2/c1-2-3-17-4-6-18(7-5-17)19-8-10-20(11-9-19)26-22(29)13-15-25(27(26)31)34-21-12-14-24(23(30)16-21)35-28(32)33/h12-20,28H,2-11H2,1H3.
What are the key properties of 1-[4-(difluoromethoxy)-3-fluorophenoxy]-2,4-difluoro-3-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
1-[4-(difluoromethoxy)-3-fluorophenoxy]-2,4-difluoro-3-[4-(4-propylcyclohexyl)cyclohexyl]benzene has a molecular weight of 496.56 g/mol, XLogP of 9.38, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)-3-fluorophenoxy]-2,4-difluoro-3-[4-(4-propylcyclohexyl)cyclohexyl]benzene is sourced from PubChem (CID 173305630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).