1-(difluoromethoxy)-2-fluoro-4-[4-(4-methoxycyclohexyl)phenyl]benzene

C20H21F3O2 — CID 144809434

IUPAC1-(difluoromethoxy)-2-fluoro-4-[4-(4-methoxycyclohexyl)phenyl]benzene
SMILESCOC1CCC(c2ccc(-c3ccc(OC(F)F)c(F)c3)cc2)CC1
InChIInChI=1S/C20H21F3O2/c1-24-17-9-6-14(7-10-17)13-2-4-15(5-3-13)16-8-11-19(18(21)12-16)25-20(22)23/h2-5,8,11-12,14,17,20H,6-7,9-10H2,1H3
InChIKeyHWCVOQQGIISSNX-UHFFFAOYSA-N
MW350.38 g/mol
LogP5.77
Rot. Bonds5

About 1-(difluoromethoxy)-2-fluoro-4-[4-(4-methoxycyclohexyl)phenyl]benzene

1-(difluoromethoxy)-2-fluoro-4-[4-(4-methoxycyclohexyl)phenyl]benzene (PubChem CID 144809434) has the molecular formula C20H21F3O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is 1-(difluoromethoxy)-2-fluoro-4-[4-(4-methoxycyclohexyl)phenyl]benzene.

Molecular Properties

Compound Name1-(difluoromethoxy)-2-fluoro-4-[4-(4-methoxycyclohexyl)phenyl]benzene
PubChem CID144809434
Molecular FormulaC20H21F3O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC Name1-(difluoromethoxy)-2-fluoro-4-[4-(4-methoxycyclohexyl)phenyl]benzene
SMILESCOC1CCC(c2ccc(-c3ccc(OC(F)F)c(F)c3)cc2)CC1
InChIInChI=1S/C20H21F3O2/c1-24-17-9-6-14(7-10-17)13-2-4-15(5-3-13)16-8-11-19(18(21)12-16)25-20(22)23/h2-5,8,11-12,14,17,20H,6-7,9-10H2,1H3
InChIKeyHWCVOQQGIISSNX-UHFFFAOYSA-N
XLogP5.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.38
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-1-methoxy-4-[4-(4-methoxycyclohexyl)phenyl]benzene
CID 144809360
2-fluoro-1-methoxy-4-[4-(4-methylcyclohexyl)phenyl]benzene
CID 144809449
1-(difluoromethoxy)-2-fluoro-4-[2-fluoro-4-(4-fluorocyclohexyl)phenyl]benzene
CID 18344091
2-[4-[4-(difluoromethoxy)-3-fluorophenyl]phenyl]-6-heptyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 70229872
1,2-difluoro-4-(4-methoxycyclohexyl)benzene
CID 144809444
2-fluoro-4-(4-methoxycyclohexyl)-1-[(E)-prop-1-enoxy]benzene
CID 144809408
1-ethoxy-2-fluoro-4-[4-(4-prop-2-enoxycyclohexyl)phenyl]benzene
CID 138459505
2-[4-(difluoromethoxy)-3-fluorophenyl]-6-ethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139864996
2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-1-(2-methylpropoxy)benzene
CID 144809398
2-fluoro-1-(3-fluoro-4-methoxyphenyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene;fluoromethane
CID 123561678
(2R,4aR,8aR)-2-[4-[4-(difluoromethoxy)-3-fluorophenyl]-3,5-difluorophenyl]-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 20808922
1-(difluoromethoxy)-2-fluoro-4-[4-(4-hexylcyclohexyl)cyclohexyl]benzene
CID 18659075

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-2-fluoro-4-[4-(4-methoxycyclohexyl)phenyl]benzene?
The IUPAC name of 1-(difluoromethoxy)-2-fluoro-4-[4-(4-methoxycyclohexyl)phenyl]benzene (CID 144809434) is 1-(difluoromethoxy)-2-fluoro-4-[4-(4-methoxycyclohexyl)phenyl]benzene.
What is the SMILES notation for 1-(difluoromethoxy)-2-fluoro-4-[4-(4-methoxycyclohexyl)phenyl]benzene?
The canonical SMILES for 1-(difluoromethoxy)-2-fluoro-4-[4-(4-methoxycyclohexyl)phenyl]benzene is COC1CCC(c2ccc(-c3ccc(OC(F)F)c(F)c3)cc2)CC1.
What is the InChIKey of 1-(difluoromethoxy)-2-fluoro-4-[4-(4-methoxycyclohexyl)phenyl]benzene?
The InChIKey is HWCVOQQGIISSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3O2/c1-24-17-9-6-14(7-10-17)13-2-4-15(5-3-13)16-8-11-19(18(21)12-16)25-20(22)23/h2-5,8,11-12,14,17,20H,6-7,9-10H2,1H3.
What are the key properties of 1-(difluoromethoxy)-2-fluoro-4-[4-(4-methoxycyclohexyl)phenyl]benzene?
1-(difluoromethoxy)-2-fluoro-4-[4-(4-methoxycyclohexyl)phenyl]benzene has a molecular weight of 350.38 g/mol, XLogP of 5.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-2-fluoro-4-[4-(4-methoxycyclohexyl)phenyl]benzene is sourced from PubChem (CID 144809434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).