1-[4-[4-(3,3-difluorobutyl)cyclohexyl]cyclohexyl]-2,3-difluoro-4-methoxybenzene

C23H32F4O — CID 118967004

IUPAC1-[4-[4-(3,3-difluorobutyl)cyclohexyl]cyclohexyl]-2,3-difluoro-4-methoxybenzene
SMILESCOc1ccc(C2CCC(C3CCC(CCC(C)(F)F)CC3)CC2)c(F)c1F
InChIInChI=1S/C23H32F4O/c1-23(26,27)14-13-15-3-5-16(6-4-15)17-7-9-18(10-8-17)19-11-12-20(28-2)22(25)21(19)24/h11-12,15-18H,3-10,13-14H2,1-2H3
InChIKeyXSEKXEJGELVXSJ-UHFFFAOYSA-N
MW400.50 g/mol
LogP7.49
Rot. Bonds6

About 1-[4-[4-(3,3-difluorobutyl)cyclohexyl]cyclohexyl]-2,3-difluoro-4-methoxybenzene

1-[4-[4-(3,3-difluorobutyl)cyclohexyl]cyclohexyl]-2,3-difluoro-4-methoxybenzene (PubChem CID 118967004) has the molecular formula C23H32F4O and a molecular weight of 400.50 g/mol. Its IUPAC name is 1-[4-[4-(3,3-difluorobutyl)cyclohexyl]cyclohexyl]-2,3-difluoro-4-methoxybenzene.

Molecular Properties

Compound Name1-[4-[4-(3,3-difluorobutyl)cyclohexyl]cyclohexyl]-2,3-difluoro-4-methoxybenzene
PubChem CID118967004
Molecular FormulaC23H32F4O
Molecular Weight400.50 g/mol
Exact Mass400.24
IUPAC Name1-[4-[4-(3,3-difluorobutyl)cyclohexyl]cyclohexyl]-2,3-difluoro-4-methoxybenzene
SMILESCOc1ccc(C2CCC(C3CCC(CCC(C)(F)F)CC3)CC2)c(F)c1F
InChIInChI=1S/C23H32F4O/c1-23(26,27)14-13-15-3-5-16(6-4-15)17-7-9-18(10-8-17)19-11-12-20(28-2)22(25)21(19)24/h11-12,15-18H,3-10,13-14H2,1-2H3
InChIKeyXSEKXEJGELVXSJ-UHFFFAOYSA-N
XLogP7.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.50
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[4-[4-(3,3-difluorobutyl)cyclohexyl]cyclohexyl]-2,3-difluoro-4-methoxybenzene with MolForge

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Related Compounds

1-[4-(2,2-difluoropropyl)cyclohexyl]-2,3-difluoro-4-methoxybenzene
CID 118966982
2,3-difluoro-1-methoxy-4-[4-[4-[2-(4-propylphenyl)ethyl]cyclohexyl]cyclohexyl]benzene
CID 118967051
2,3-difluoro-1-methoxy-4-(4-pentylcyclohexyl)benzene
CID 53418387
2-(4-butylcyclohexyl)-6-(2,3-difluoro-4-methoxyphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837372
2-[4-(2,3-difluoro-4-methoxyphenyl)cyclohexyl]-6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139868521
2-(2,3-difluoro-4-methoxyphenyl)-6-(4-pentylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837056
2,3-difluoro-1-methoxy-4-[4-(4-prop-2-enoxycyclohexyl)cyclohexyl]benzene
CID 20783054
1-[4-(4-ethenoxycyclohexyl)cyclohexyl]-2,3-difluoro-4-methoxybenzene
CID 20783056
2,3-difluoro-1-methoxy-4-(4-methylcyclohexyl)benzene;ethane
CID 142351768
2,3-difluoro-1-methoxy-4-[4-[4-[4-[(E)-pent-1-enyl]cyclohexyl]cyclohexyl]cyclohexyl]benzene
CID 20621725
2,3-difluoro-1-[4-(4-hexylcyclohexyl)cyclohexyl]-4-pentoxybenzene
CID 134358391
2,3-difluoro-1-prop-2-enoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 134358467

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(3,3-difluorobutyl)cyclohexyl]cyclohexyl]-2,3-difluoro-4-methoxybenzene?
The IUPAC name of 1-[4-[4-(3,3-difluorobutyl)cyclohexyl]cyclohexyl]-2,3-difluoro-4-methoxybenzene (CID 118967004) is 1-[4-[4-(3,3-difluorobutyl)cyclohexyl]cyclohexyl]-2,3-difluoro-4-methoxybenzene.
What is the SMILES notation for 1-[4-[4-(3,3-difluorobutyl)cyclohexyl]cyclohexyl]-2,3-difluoro-4-methoxybenzene?
The canonical SMILES for 1-[4-[4-(3,3-difluorobutyl)cyclohexyl]cyclohexyl]-2,3-difluoro-4-methoxybenzene is COc1ccc(C2CCC(C3CCC(CCC(C)(F)F)CC3)CC2)c(F)c1F.
What is the InChIKey of 1-[4-[4-(3,3-difluorobutyl)cyclohexyl]cyclohexyl]-2,3-difluoro-4-methoxybenzene?
The InChIKey is XSEKXEJGELVXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32F4O/c1-23(26,27)14-13-15-3-5-16(6-4-15)17-7-9-18(10-8-17)19-11-12-20(28-2)22(25)21(19)24/h11-12,15-18H,3-10,13-14H2,1-2H3.
What are the key properties of 1-[4-[4-(3,3-difluorobutyl)cyclohexyl]cyclohexyl]-2,3-difluoro-4-methoxybenzene?
1-[4-[4-(3,3-difluorobutyl)cyclohexyl]cyclohexyl]-2,3-difluoro-4-methoxybenzene has a molecular weight of 400.50 g/mol, XLogP of 7.49, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(3,3-difluorobutyl)cyclohexyl]cyclohexyl]-2,3-difluoro-4-methoxybenzene is sourced from PubChem (CID 118967004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).