1-(difluoromethylidene)-4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexane

C22H36F2 — CID 21353204

IUPAC1-(difluoromethylidene)-4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexane
SMILESCC1CCC(CC2CCC(CC3CCC(=C(F)F)CC3)CC2)CC1
InChIInChI=1S/C22H36F2/c1-16-2-4-17(5-3-16)14-18-6-8-19(9-7-18)15-20-10-12-21(13-11-20)22(23)24/h16-20H,2-15H2,1H3
InChIKeyZHLKEDNRYPMYPW-UHFFFAOYSA-N
MW338.53 g/mol
LogP7.74
Rot. Bonds4

About 1-(difluoromethylidene)-4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexane

1-(difluoromethylidene)-4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexane (PubChem CID 21353204) has the molecular formula C22H36F2 and a molecular weight of 338.53 g/mol. Its IUPAC name is 1-(difluoromethylidene)-4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexane.

Molecular Properties

Compound Name1-(difluoromethylidene)-4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexane
PubChem CID21353204
Molecular FormulaC22H36F2
Molecular Weight338.53 g/mol
Exact Mass338.28
IUPAC Name1-(difluoromethylidene)-4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexane
SMILESCC1CCC(CC2CCC(CC3CCC(=C(F)F)CC3)CC2)CC1
InChIInChI=1S/C22H36F2/c1-16-2-4-17(5-3-16)14-18-6-8-19(9-7-18)15-20-10-12-21(13-11-20)22(23)24/h16-20H,2-15H2,1H3
InChIKeyZHLKEDNRYPMYPW-UHFFFAOYSA-N
XLogP7.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.53
LogP ≤ 57.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-(Difluoromethylidene)-9-pentylspiro[5.5]undecane
CID 15201513
1-(Difluoromethylidene)-4-(4-propylcyclohexyl)cyclohexane
CID 11299841
1,1-Difluoro-3-(trans-4-(trans-4-pentylcyclohexyl)cyclohexyl)-1-propene
CID 14692527
1-(4,4-Difluorobut-3-enyl)-4-(4-propylcyclohexyl)cyclohexane
CID 14692528
1-(4,4-Difluorobut-3-enyl)-4-(4-pentylcyclohexyl)cyclohexane
CID 14692529
1-(2,2-Difluoroethenyl)-4-(4-pentylcyclohexyl)cyclohexane
CID 14744734
1-(2,2-Difluoroethenyl)-4-(4-heptylcyclohexyl)cyclohexane
CID 14744735
1-[3-(Difluoromethylidene)cyclobutyl]-4-(4-pentylcyclohexyl)cyclohexane
CID 15218880
1-(Difluoromethylidene)-3-(4-pentylcyclohexyl)cyclohexane
CID 18396518
1-(3,3-Difluoroprop-2-enyl)-4-(4-hexylcyclohexyl)cyclohexane
CID 19842701
1-Butyl-4-[4-(4,4-difluorobut-3-enyl)cyclohexyl]cyclohexane
CID 19842703
1-(2,2-Difluoroethenyl)-4-(4-undecylcyclohexyl)cyclohexane
CID 19842708

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethylidene)-4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexane?
The IUPAC name of 1-(difluoromethylidene)-4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexane (CID 21353204) is 1-(difluoromethylidene)-4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexane.
What is the SMILES notation for 1-(difluoromethylidene)-4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexane?
The canonical SMILES for 1-(difluoromethylidene)-4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexane is CC1CCC(CC2CCC(CC3CCC(=C(F)F)CC3)CC2)CC1.
What is the InChIKey of 1-(difluoromethylidene)-4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexane?
The InChIKey is ZHLKEDNRYPMYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36F2/c1-16-2-4-17(5-3-16)14-18-6-8-19(9-7-18)15-20-10-12-21(13-11-20)22(23)24/h16-20H,2-15H2,1H3.
What are the key properties of 1-(difluoromethylidene)-4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexane?
1-(difluoromethylidene)-4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexane has a molecular weight of 338.53 g/mol, XLogP of 7.74, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethylidene)-4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexane is sourced from PubChem (CID 21353204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).