2-(difluoromethoxy)-5-[2,2-difluoro-2-(4-propylcyclohexyl)ethyl]-1,3-difluorobenzene

C18H22F6O — CID 18344238

IUPAC2-(difluoromethoxy)-5-[2,2-difluoro-2-(4-propylcyclohexyl)ethyl]-1,3-difluorobenzene
SMILESCCCC1CCC(C(F)(F)Cc2cc(F)c(OC(F)F)c(F)c2)CC1
InChIInChI=1S/C18H22F6O/c1-2-3-11-4-6-13(7-5-11)18(23,24)10-12-8-14(19)16(15(20)9-12)25-17(21)22/h8-9,11,13,17H,2-7,10H2,1H3
InChIKeyRUZZLNYLNMIMHS-UHFFFAOYSA-N
MW368.36 g/mol
LogP6.35
Rot. Bonds7

About 2-(difluoromethoxy)-5-[2,2-difluoro-2-(4-propylcyclohexyl)ethyl]-1,3-difluorobenzene

2-(difluoromethoxy)-5-[2,2-difluoro-2-(4-propylcyclohexyl)ethyl]-1,3-difluorobenzene (PubChem CID 18344238) has the molecular formula C18H22F6O and a molecular weight of 368.36 g/mol. Its IUPAC name is 2-(difluoromethoxy)-5-[2,2-difluoro-2-(4-propylcyclohexyl)ethyl]-1,3-difluorobenzene.

Molecular Properties

Compound Name2-(difluoromethoxy)-5-[2,2-difluoro-2-(4-propylcyclohexyl)ethyl]-1,3-difluorobenzene
PubChem CID18344238
Molecular FormulaC18H22F6O
Molecular Weight368.36 g/mol
Exact Mass368.16
IUPAC Name2-(difluoromethoxy)-5-[2,2-difluoro-2-(4-propylcyclohexyl)ethyl]-1,3-difluorobenzene
SMILESCCCC1CCC(C(F)(F)Cc2cc(F)c(OC(F)F)c(F)c2)CC1
InChIInChI=1S/C18H22F6O/c1-2-3-11-4-6-13(7-5-11)18(23,24)10-12-8-14(19)16(15(20)9-12)25-17(21)22/h8-9,11,13,17H,2-7,10H2,1H3
InChIKeyRUZZLNYLNMIMHS-UHFFFAOYSA-N
XLogP6.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.36
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(difluoromethoxy)-4-[4-[2,2-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]phenyl]-2-fluorobenzene
CID 18344100
2-(difluoromethoxy)-5-[1,1-difluoro-3-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]propoxy]-1,3-difluorobenzene
CID 59048932
2-[4-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1,1-difluoroethyl]cyclohexyl]-5-(4-propylcyclohexyl)-1,3-dioxane
CID 18344165
2-(difluoromethoxy)-1,3-difluoro-5-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene
CID 22886894
1-(3,4-difluorophenyl)-4-[2,2-difluoro-2-(4-propylcyclohexyl)ethyl]-2-fluorobenzene
CID 18343984
2-(difluoromethoxy)-1,3-difluoro-5-[2-(4-oct-4-enylcyclohexyl)ethyl]benzene
CID 54571608
5-[4-[2,2-difluoro-2-(4-propylcyclohexyl)ethyl]-2-fluorophenyl]-1,3-difluoro-2-(3-fluoro-4-methylphenyl)benzene
CID 18344427
2-(difluoromethoxy)-1,3-difluoro-5-[2-(4-octan-4-ylcyclohexyl)ethyl]benzene
CID 162577162
2-(difluoromethoxy)-1,3-difluoro-6-(4-propylcyclohexyl)naphthalene
CID 58840172
1-(difluoromethoxy)-4-[2,2-difluoro-2-[4-[4-(4-propylphenyl)cyclohexyl]cyclohexyl]ethyl]-2-fluorobenzene
CID 18344097
1-chloro-4-[4-[2,2-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]phenyl]-2-fluorobenzene
CID 18344083
2-(difluoromethoxy)-1,3-difluoro-5-[2-(4-oct-5-enylcyclohexyl)ethyl]benzene
CID 54220741

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-5-[2,2-difluoro-2-(4-propylcyclohexyl)ethyl]-1,3-difluorobenzene?
The IUPAC name of 2-(difluoromethoxy)-5-[2,2-difluoro-2-(4-propylcyclohexyl)ethyl]-1,3-difluorobenzene (CID 18344238) is 2-(difluoromethoxy)-5-[2,2-difluoro-2-(4-propylcyclohexyl)ethyl]-1,3-difluorobenzene.
What is the SMILES notation for 2-(difluoromethoxy)-5-[2,2-difluoro-2-(4-propylcyclohexyl)ethyl]-1,3-difluorobenzene?
The canonical SMILES for 2-(difluoromethoxy)-5-[2,2-difluoro-2-(4-propylcyclohexyl)ethyl]-1,3-difluorobenzene is CCCC1CCC(C(F)(F)Cc2cc(F)c(OC(F)F)c(F)c2)CC1.
What is the InChIKey of 2-(difluoromethoxy)-5-[2,2-difluoro-2-(4-propylcyclohexyl)ethyl]-1,3-difluorobenzene?
The InChIKey is RUZZLNYLNMIMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F6O/c1-2-3-11-4-6-13(7-5-11)18(23,24)10-12-8-14(19)16(15(20)9-12)25-17(21)22/h8-9,11,13,17H,2-7,10H2,1H3.
What are the key properties of 2-(difluoromethoxy)-5-[2,2-difluoro-2-(4-propylcyclohexyl)ethyl]-1,3-difluorobenzene?
2-(difluoromethoxy)-5-[2,2-difluoro-2-(4-propylcyclohexyl)ethyl]-1,3-difluorobenzene has a molecular weight of 368.36 g/mol, XLogP of 6.35, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-5-[2,2-difluoro-2-(4-propylcyclohexyl)ethyl]-1,3-difluorobenzene is sourced from PubChem (CID 18344238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).