1-(difluoromethoxy)-4-[4-(1-pentan-2-ylcyclohexyl)cyclohexyl]benzene

C24H36F2O — CID 67785014

IUPAC1-(difluoromethoxy)-4-[4-(1-pentan-2-ylcyclohexyl)cyclohexyl]benzene
SMILESCCCC(C)C1(C2CCC(c3ccc(OC(F)F)cc3)CC2)CCCCC1
InChIInChI=1S/C24H36F2O/c1-3-7-18(2)24(16-5-4-6-17-24)21-12-8-19(9-13-21)20-10-14-22(15-11-20)27-23(25)26/h10-11,14-15,18-19,21,23H,3-9,12-13,16-17H2,1-2H3
InChIKeyVKBLCGFNVUKDJO-UHFFFAOYSA-N
MW378.55 g/mol
LogP7.95
Rot. Bonds7

About 1-(difluoromethoxy)-4-[4-(1-pentan-2-ylcyclohexyl)cyclohexyl]benzene

1-(difluoromethoxy)-4-[4-(1-pentan-2-ylcyclohexyl)cyclohexyl]benzene (PubChem CID 67785014) has the molecular formula C24H36F2O and a molecular weight of 378.55 g/mol. Its IUPAC name is 1-(difluoromethoxy)-4-[4-(1-pentan-2-ylcyclohexyl)cyclohexyl]benzene.

Molecular Properties

Compound Name1-(difluoromethoxy)-4-[4-(1-pentan-2-ylcyclohexyl)cyclohexyl]benzene
PubChem CID67785014
Molecular FormulaC24H36F2O
Molecular Weight378.55 g/mol
Exact Mass378.27
IUPAC Name1-(difluoromethoxy)-4-[4-(1-pentan-2-ylcyclohexyl)cyclohexyl]benzene
SMILESCCCC(C)C1(C2CCC(c3ccc(OC(F)F)cc3)CC2)CCCCC1
InChIInChI=1S/C24H36F2O/c1-3-7-18(2)24(16-5-4-6-17-24)21-12-8-19(9-13-21)20-10-14-22(15-11-20)27-23(25)26/h10-11,14-15,18-19,21,23H,3-9,12-13,16-17H2,1-2H3
InChIKeyVKBLCGFNVUKDJO-UHFFFAOYSA-N
XLogP7.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.55
LogP ≤ 57.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethoxy-2,3-difluoro-4-[[4-(1-pentan-2-ylcyclohexyl)cyclohexyl]methoxy]benzene
CID 70397972
1-[1-[1-(4-butylcyclohexyl)cyclohexyl]ethyl]-4-(difluoromethoxy)-2-fluorobenzene
CID 67932372
1-[4-(4-decylcyclohexyl)cyclohexyl]-4-(difluoromethoxy)benzene
CID 18658967
1-(difluoromethoxy)-4-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]benzene
CID 14765980
1-(difluoromethoxy)-4-[4-(4-propylcyclohex-3-en-1-yl)cyclohexyl]benzene
CID 19436175
[4-(4-propylcyclohexyl)phenyl] 4-(difluoromethoxy)benzoate
CID 14765981
2-[4-[4-(difluoromethoxy)phenyl]cyclohexyl]-6-heptyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139870011
1-(difluoromethoxy)-4-[[4-[4-(4-ethylcyclohexyl)cyclohexyl]phenyl]-difluoromethoxy]benzene
CID 70178197
N-[[4-(difluoromethoxy)phenyl]methyl]pentan-2-amine
CID 43177714
2-butoxy-6-[4-(difluoromethoxy)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139865676
2-[4-(difluoromethoxy)phenyl]-7-[(E)-pent-1-enyl]-1,2,3,4,5,6,7,8-octahydrophenanthrene
CID 22045243
3-[4-(difluoromethoxy)phenyl]piperidine
CID 117326655

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-4-[4-(1-pentan-2-ylcyclohexyl)cyclohexyl]benzene?
The IUPAC name of 1-(difluoromethoxy)-4-[4-(1-pentan-2-ylcyclohexyl)cyclohexyl]benzene (CID 67785014) is 1-(difluoromethoxy)-4-[4-(1-pentan-2-ylcyclohexyl)cyclohexyl]benzene.
What is the SMILES notation for 1-(difluoromethoxy)-4-[4-(1-pentan-2-ylcyclohexyl)cyclohexyl]benzene?
The canonical SMILES for 1-(difluoromethoxy)-4-[4-(1-pentan-2-ylcyclohexyl)cyclohexyl]benzene is CCCC(C)C1(C2CCC(c3ccc(OC(F)F)cc3)CC2)CCCCC1.
What is the InChIKey of 1-(difluoromethoxy)-4-[4-(1-pentan-2-ylcyclohexyl)cyclohexyl]benzene?
The InChIKey is VKBLCGFNVUKDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36F2O/c1-3-7-18(2)24(16-5-4-6-17-24)21-12-8-19(9-13-21)20-10-14-22(15-11-20)27-23(25)26/h10-11,14-15,18-19,21,23H,3-9,12-13,16-17H2,1-2H3.
What are the key properties of 1-(difluoromethoxy)-4-[4-(1-pentan-2-ylcyclohexyl)cyclohexyl]benzene?
1-(difluoromethoxy)-4-[4-(1-pentan-2-ylcyclohexyl)cyclohexyl]benzene has a molecular weight of 378.55 g/mol, XLogP of 7.95, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-4-[4-(1-pentan-2-ylcyclohexyl)cyclohexyl]benzene is sourced from PubChem (CID 67785014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).