1,2-difluoro-4-[4-[(4-propylcyclohexyl)methyl]cyclohexyl]benzene

C22H32F2 — CID 20657061

IUPAC1,2-difluoro-4-[4-[(4-propylcyclohexyl)methyl]cyclohexyl]benzene
SMILESCCCC1CCC(CC2CCC(c3ccc(F)c(F)c3)CC2)CC1
InChIInChI=1S/C22H32F2/c1-2-3-16-4-6-17(7-5-16)14-18-8-10-19(11-9-18)20-12-13-21(23)22(24)15-20/h12-13,15-19H,2-11,14H2,1H3
InChIKeyZLFFJNUOAPKLSW-UHFFFAOYSA-N
MW334.49 g/mol
LogP7.24
Rot. Bonds5

About 1,2-difluoro-4-[4-[(4-propylcyclohexyl)methyl]cyclohexyl]benzene

1,2-difluoro-4-[4-[(4-propylcyclohexyl)methyl]cyclohexyl]benzene (PubChem CID 20657061) has the molecular formula C22H32F2 and a molecular weight of 334.49 g/mol. Its IUPAC name is 1,2-difluoro-4-[4-[(4-propylcyclohexyl)methyl]cyclohexyl]benzene.

Molecular Properties

Compound Name1,2-difluoro-4-[4-[(4-propylcyclohexyl)methyl]cyclohexyl]benzene
PubChem CID20657061
Molecular FormulaC22H32F2
Molecular Weight334.49 g/mol
Exact Mass334.25
IUPAC Name1,2-difluoro-4-[4-[(4-propylcyclohexyl)methyl]cyclohexyl]benzene
SMILESCCCC1CCC(CC2CCC(c3ccc(F)c(F)c3)CC2)CC1
InChIInChI=1S/C22H32F2/c1-2-3-16-4-6-17(7-5-16)14-18-8-10-19(11-9-18)20-12-13-21(23)22(24)15-20/h12-13,15-19H,2-11,14H2,1H3
InChIKeyZLFFJNUOAPKLSW-UHFFFAOYSA-N
XLogP7.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.49
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-[4-[(4-butylcyclohexyl)methyl]cyclohexyl]-1,2-difluorobenzene
CID 139724444
4-(4-butylcyclohexyl)-1,2-difluorobenzene
CID 20677031
1,2-difluoro-4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]benzene
CID 587774
4-[4-[4-(4-butylcyclohexyl)cyclohexyl]cyclohexyl]-1,2-difluorobenzene
CID 70499563
2-fluoro-1-iodo-4-(4-propylcyclohexyl)benzene
CID 18681375
2-(3,4-difluorophenyl)-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;molecular hydrogen
CID 159397311
1,2-difluoro-4-(3-propylcyclobutyl)benzene
CID 19387615
4-[4-[[4-[difluoro-(4-propylcyclohexyl)methoxy]cyclohexyl]-difluoromethoxy]cyclohexyl]-1,2-difluorobenzene
CID 89280493
CID 22924529
CID 22924529
7-(3,4-difluorophenyl)-2-propylspiro[3.5]nonane
CID 19387617
1-ethyl-2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 14693031
2-fluoro-1-(fluoromethoxy)-4-(4-propylcyclohexyl)benzene
CID 70841823

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-4-[4-[(4-propylcyclohexyl)methyl]cyclohexyl]benzene?
The IUPAC name of 1,2-difluoro-4-[4-[(4-propylcyclohexyl)methyl]cyclohexyl]benzene (CID 20657061) is 1,2-difluoro-4-[4-[(4-propylcyclohexyl)methyl]cyclohexyl]benzene.
What is the SMILES notation for 1,2-difluoro-4-[4-[(4-propylcyclohexyl)methyl]cyclohexyl]benzene?
The canonical SMILES for 1,2-difluoro-4-[4-[(4-propylcyclohexyl)methyl]cyclohexyl]benzene is CCCC1CCC(CC2CCC(c3ccc(F)c(F)c3)CC2)CC1.
What is the InChIKey of 1,2-difluoro-4-[4-[(4-propylcyclohexyl)methyl]cyclohexyl]benzene?
The InChIKey is ZLFFJNUOAPKLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32F2/c1-2-3-16-4-6-17(7-5-16)14-18-8-10-19(11-9-18)20-12-13-21(23)22(24)15-20/h12-13,15-19H,2-11,14H2,1H3.
What are the key properties of 1,2-difluoro-4-[4-[(4-propylcyclohexyl)methyl]cyclohexyl]benzene?
1,2-difluoro-4-[4-[(4-propylcyclohexyl)methyl]cyclohexyl]benzene has a molecular weight of 334.49 g/mol, XLogP of 7.24, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-4-[4-[(4-propylcyclohexyl)methyl]cyclohexyl]benzene is sourced from PubChem (CID 20657061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).