4-[difluoro-(4-methylcyclohexyl)methoxy]-1-(3,4-difluorophenyl)-2-fluorobenzene

C20H19F5O — CID 59641363

IUPAC4-[difluoro-(4-methylcyclohexyl)methoxy]-1-(3,4-difluorophenyl)-2-fluorobenzene
SMILESCC1CCC(C(F)(F)Oc2ccc(-c3ccc(F)c(F)c3)c(F)c2)CC1
InChIInChI=1S/C20H19F5O/c1-12-2-5-14(6-3-12)20(24,25)26-15-7-8-16(18(22)11-15)13-4-9-17(21)19(23)10-13/h4,7-12,14H,2-3,5-6H2,1H3
InChIKeyZGRCBJYKTPTQCP-UHFFFAOYSA-N
MW370.36 g/mol
LogP6.57
Rot. Bonds4

About 4-[difluoro-(4-methylcyclohexyl)methoxy]-1-(3,4-difluorophenyl)-2-fluorobenzene

4-[difluoro-(4-methylcyclohexyl)methoxy]-1-(3,4-difluorophenyl)-2-fluorobenzene (PubChem CID 59641363) has the molecular formula C20H19F5O and a molecular weight of 370.36 g/mol. Its IUPAC name is 4-[difluoro-(4-methylcyclohexyl)methoxy]-1-(3,4-difluorophenyl)-2-fluorobenzene.

Molecular Properties

Compound Name4-[difluoro-(4-methylcyclohexyl)methoxy]-1-(3,4-difluorophenyl)-2-fluorobenzene
PubChem CID59641363
Molecular FormulaC20H19F5O
Molecular Weight370.36 g/mol
Exact Mass370.14
IUPAC Name4-[difluoro-(4-methylcyclohexyl)methoxy]-1-(3,4-difluorophenyl)-2-fluorobenzene
SMILESCC1CCC(C(F)(F)Oc2ccc(-c3ccc(F)c(F)c3)c(F)c2)CC1
InChIInChI=1S/C20H19F5O/c1-12-2-5-14(6-3-12)20(24,25)26-15-7-8-16(18(22)11-15)13-4-9-17(21)19(23)10-13/h4,7-12,14H,2-3,5-6H2,1H3
InChIKeyZGRCBJYKTPTQCP-UHFFFAOYSA-N
XLogP6.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.36
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-1,2-difluorobenzene;methane;molecular hydrogen
CID 158144019
1-[difluoro-(4-methylcyclohexyl)methoxy]-4-[4-[(3,4-difluorophenoxy)-difluoromethyl]phenyl]-2,3-difluorobenzene
CID 135223725
5-[4-[difluoro-[4-[2-fluoro-4-(4-methylcyclohexyl)phenyl]cyclohexyl]methoxy]-2-fluorophenyl]-1,3-difluoro-2-methylbenzene
CID 143908554
1-[difluoro-(4-methylcyclohexyl)methoxy]-4-methylbenzene
CID 20705614
5-[difluoro-(4-methylcyclohexyl)methoxy]-1,3-difluoro-2-iodobenzene
CID 121367346
1-[4-[(3,4-difluorophenoxy)-difluoromethyl]cyclohexyl]-2,3-difluoro-4-(4-propylphenyl)benzene
CID 118601479
5-[4-[difluoro-(4-propylcyclohexyl)methoxy]-2-fluorophenyl]-2-[difluoro(trifluoromethoxy)methyl]-1,3-difluorobenzene
CID 90179493
5-[4-[difluoro-(4-propylcyclohexyl)methoxy]-2-fluorophenyl]-2-[3,5-difluoro-4-[(E)-3,3,3-trifluoroprop-1-enyl]phenyl]-1,3-difluorobenzene
CID 59247573
2-(difluoromethoxy)-5-[difluoro-(4-methylcyclohexyl)methoxy]-1,3-difluorobenzene
CID 20591349
[3-[4-[[4-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-3-fluorophenoxy]-difluoromethyl]cyclohexyl]-2-(4-methylcyclohexyl)propoxy]methanol
CID 143908596
(3,4-difluorophenyl) 4-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-2,6-difluorobenzoate;molecular hydrogen
CID 159912383
[4-[difluoro-(4-methylcyclohexyl)methoxy]-2,6-difluorophenyl]-pentafluoro-λ6-sulfane
CID 21363259

Frequently Asked Questions

What is the IUPAC name of 4-[difluoro-(4-methylcyclohexyl)methoxy]-1-(3,4-difluorophenyl)-2-fluorobenzene?
The IUPAC name of 4-[difluoro-(4-methylcyclohexyl)methoxy]-1-(3,4-difluorophenyl)-2-fluorobenzene (CID 59641363) is 4-[difluoro-(4-methylcyclohexyl)methoxy]-1-(3,4-difluorophenyl)-2-fluorobenzene.
What is the SMILES notation for 4-[difluoro-(4-methylcyclohexyl)methoxy]-1-(3,4-difluorophenyl)-2-fluorobenzene?
The canonical SMILES for 4-[difluoro-(4-methylcyclohexyl)methoxy]-1-(3,4-difluorophenyl)-2-fluorobenzene is CC1CCC(C(F)(F)Oc2ccc(-c3ccc(F)c(F)c3)c(F)c2)CC1.
What is the InChIKey of 4-[difluoro-(4-methylcyclohexyl)methoxy]-1-(3,4-difluorophenyl)-2-fluorobenzene?
The InChIKey is ZGRCBJYKTPTQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F5O/c1-12-2-5-14(6-3-12)20(24,25)26-15-7-8-16(18(22)11-15)13-4-9-17(21)19(23)10-13/h4,7-12,14H,2-3,5-6H2,1H3.
What are the key properties of 4-[difluoro-(4-methylcyclohexyl)methoxy]-1-(3,4-difluorophenyl)-2-fluorobenzene?
4-[difluoro-(4-methylcyclohexyl)methoxy]-1-(3,4-difluorophenyl)-2-fluorobenzene has a molecular weight of 370.36 g/mol, XLogP of 6.57, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[difluoro-(4-methylcyclohexyl)methoxy]-1-(3,4-difluorophenyl)-2-fluorobenzene is sourced from PubChem (CID 59641363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).