[4-(4-butylcyclohexyl)-1-(difluoromethoxy)-2-fluorocyclohexyl]benzene

C23H33F3O — CID 67569252

IUPAC[4-(4-butylcyclohexyl)-1-(difluoromethoxy)-2-fluorocyclohexyl]benzene
SMILESCCCCC1CCC(C2CCC(OC(F)F)(c3ccccc3)C(F)C2)CC1
InChIInChI=1S/C23H33F3O/c1-2-3-7-17-10-12-18(13-11-17)19-14-15-23(21(24)16-19,27-22(25)26)20-8-5-4-6-9-20/h4-6,8-9,17-19,21-22H,2-3,7,10-16H2,1H3
InChIKeyUCBDIFAAYKSFSK-UHFFFAOYSA-N
MW382.51 g/mol
LogP7.26
Rot. Bonds7

About [4-(4-butylcyclohexyl)-1-(difluoromethoxy)-2-fluorocyclohexyl]benzene

[4-(4-butylcyclohexyl)-1-(difluoromethoxy)-2-fluorocyclohexyl]benzene (PubChem CID 67569252) has the molecular formula C23H33F3O and a molecular weight of 382.51 g/mol. Its IUPAC name is [4-(4-butylcyclohexyl)-1-(difluoromethoxy)-2-fluorocyclohexyl]benzene.

Molecular Properties

Compound Name[4-(4-butylcyclohexyl)-1-(difluoromethoxy)-2-fluorocyclohexyl]benzene
PubChem CID67569252
Molecular FormulaC23H33F3O
Molecular Weight382.51 g/mol
Exact Mass382.25
IUPAC Name[4-(4-butylcyclohexyl)-1-(difluoromethoxy)-2-fluorocyclohexyl]benzene
SMILESCCCCC1CCC(C2CCC(OC(F)F)(c3ccccc3)C(F)C2)CC1
InChIInChI=1S/C23H33F3O/c1-2-3-7-17-10-12-18(13-11-17)19-14-15-23(21(24)16-19,27-22(25)26)20-8-5-4-6-9-20/h4-6,8-9,17-19,21-22H,2-3,7,10-16H2,1H3
InChIKeyUCBDIFAAYKSFSK-UHFFFAOYSA-N
XLogP7.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.51
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze [4-(4-butylcyclohexyl)-1-(difluoromethoxy)-2-fluorocyclohexyl]benzene with MolForge

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Related Compounds

4-(4-butylcyclohexyl)-1-phenylcyclohexan-1-ol
CID 141296456
[[4-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]cyclohexyl]-fluoromethyl]benzene
CID 57319762
[1-methyl-4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 139782194
[4-[1,2-difluoro-4-(4-octylcyclohexyl)cyclohexyl]phenyl]-trifluoro-λ4-sulfane
CID 54052657
[4-[4-(4-butylcyclohexyl)cyclohexyl]-1,2-difluorobutyl]sulfanylbenzene
CID 134879335
[4-[4-(4-butylcyclohexyl)cyclohexyl]-2-fluorobutyl]sulfanylbenzene
CID 134879724
(7R)-3-butyl-11-(4-butylcyclohexyl)-7-fluorodispiro[5.1.58.16]tetradecan-14-one
CID 18633669
2-(4-butylcyclohexyl)-6-[4-(difluoromethoxy)-3,5-difluorophenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837418
3,11-bis(4-butylcyclohexyl)-14,14-dichlorodispiro[5.1.58.16]tetradecan-7-one
CID 18633481
[1,2-difluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]butyl]sulfanylbenzene
CID 101049660
[(1S,2R)-1,2-difluoro-2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]sulfanylbenzene
CID 101049674
2-(4-butylcyclohexyl)ethylbenzene
CID 19899703

Frequently Asked Questions

What is the IUPAC name of [4-(4-butylcyclohexyl)-1-(difluoromethoxy)-2-fluorocyclohexyl]benzene?
The IUPAC name of [4-(4-butylcyclohexyl)-1-(difluoromethoxy)-2-fluorocyclohexyl]benzene (CID 67569252) is [4-(4-butylcyclohexyl)-1-(difluoromethoxy)-2-fluorocyclohexyl]benzene.
What is the SMILES notation for [4-(4-butylcyclohexyl)-1-(difluoromethoxy)-2-fluorocyclohexyl]benzene?
The canonical SMILES for [4-(4-butylcyclohexyl)-1-(difluoromethoxy)-2-fluorocyclohexyl]benzene is CCCCC1CCC(C2CCC(OC(F)F)(c3ccccc3)C(F)C2)CC1.
What is the InChIKey of [4-(4-butylcyclohexyl)-1-(difluoromethoxy)-2-fluorocyclohexyl]benzene?
The InChIKey is UCBDIFAAYKSFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33F3O/c1-2-3-7-17-10-12-18(13-11-17)19-14-15-23(21(24)16-19,27-22(25)26)20-8-5-4-6-9-20/h4-6,8-9,17-19,21-22H,2-3,7,10-16H2,1H3.
What are the key properties of [4-(4-butylcyclohexyl)-1-(difluoromethoxy)-2-fluorocyclohexyl]benzene?
[4-(4-butylcyclohexyl)-1-(difluoromethoxy)-2-fluorocyclohexyl]benzene has a molecular weight of 382.51 g/mol, XLogP of 7.26, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-butylcyclohexyl)-1-(difluoromethoxy)-2-fluorocyclohexyl]benzene is sourced from PubChem (CID 67569252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).