1-(2,2-difluoroethyl)-4-(4-propylcyclohexyl)cyclohexane

C17H30F2 — CID 18659044

IUPAC1-(2,2-difluoroethyl)-4-(4-propylcyclohexyl)cyclohexane
SMILESCCCC1CCC(C2CCC(CC(F)F)CC2)CC1
InChIInChI=1S/C17H30F2/c1-2-3-13-4-8-15(9-5-13)16-10-6-14(7-11-16)12-17(18)19/h13-17H,2-12H2,1H3
InChIKeyHKGRARNOYJLUTA-UHFFFAOYSA-N
MW272.42 g/mol
LogP6.05
Rot. Bonds5

About 1-(2,2-difluoroethyl)-4-(4-propylcyclohexyl)cyclohexane

1-(2,2-difluoroethyl)-4-(4-propylcyclohexyl)cyclohexane (PubChem CID 18659044) has the molecular formula C17H30F2 and a molecular weight of 272.42 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-4-(4-propylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-4-(4-propylcyclohexyl)cyclohexane
PubChem CID18659044
Molecular FormulaC17H30F2
Molecular Weight272.42 g/mol
Exact Mass272.23
IUPAC Name1-(2,2-difluoroethyl)-4-(4-propylcyclohexyl)cyclohexane
SMILESCCCC1CCC(C2CCC(CC(F)F)CC2)CC1
InChIInChI=1S/C17H30F2/c1-2-3-13-4-8-15(9-5-13)16-10-6-14(7-11-16)12-17(18)19/h13-17H,2-12H2,1H3
InChIKeyHKGRARNOYJLUTA-UHFFFAOYSA-N
XLogP6.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.42
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(difluoromethyl)-4-(4-propylcyclohexyl)cyclohexane
CID 18659073
1-(2-fluoroethyl)-4-(4-propylcyclohexyl)cyclohexane
CID 18344046
1-[4-(2-fluoroethyl)cyclohexyl]-4-(4-propylcyclohexyl)cyclohexane
CID 18344057
1-methyl-4-(4-propylcyclohexyl)cyclohexane
CID 543958
1-(2-fluorobutyl)-4-(4-pentylcyclohexyl)cyclohexane
CID 22375166
1-propyl-4-[4-(2,2,2-trifluoroethyl)cyclohexyl]cyclohexane
CID 11173805
1-(2,2-difluoroethyl)-4-(4-ethenylcyclohexyl)cyclohexane
CID 139748793
1-prop-2-enyl-4-(4-propylcyclohexyl)cyclohexane
CID 18724324
1,1-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexane
CID 101074767
3-propylbicyclo[4.2.0]octane
CID 145186098
1-(1-prop-2-enoxyethyl)-4-(4-propylcyclohexyl)cyclohexane
CID 67853298
2-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22382934

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-4-(4-propylcyclohexyl)cyclohexane?
The IUPAC name of 1-(2,2-difluoroethyl)-4-(4-propylcyclohexyl)cyclohexane (CID 18659044) is 1-(2,2-difluoroethyl)-4-(4-propylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-(2,2-difluoroethyl)-4-(4-propylcyclohexyl)cyclohexane?
The canonical SMILES for 1-(2,2-difluoroethyl)-4-(4-propylcyclohexyl)cyclohexane is CCCC1CCC(C2CCC(CC(F)F)CC2)CC1.
What is the InChIKey of 1-(2,2-difluoroethyl)-4-(4-propylcyclohexyl)cyclohexane?
The InChIKey is HKGRARNOYJLUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30F2/c1-2-3-13-4-8-15(9-5-13)16-10-6-14(7-11-16)12-17(18)19/h13-17H,2-12H2,1H3.
What are the key properties of 1-(2,2-difluoroethyl)-4-(4-propylcyclohexyl)cyclohexane?
1-(2,2-difluoroethyl)-4-(4-propylcyclohexyl)cyclohexane has a molecular weight of 272.42 g/mol, XLogP of 6.05, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-4-(4-propylcyclohexyl)cyclohexane is sourced from PubChem (CID 18659044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).