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

C17H28F2O — CID 15376156

IUPAC1-(2,2-difluoroethenoxy)-4-(4-propylcyclohexyl)cyclohexane
SMILESCCCC1CCC(C2CCC(OC=C(F)F)CC2)CC1
InChIInChI=1S/C17H28F2O/c1-2-3-13-4-6-14(7-5-13)15-8-10-16(11-9-15)20-12-17(18)19/h12-16H,2-11H2,1H3
InChIKeySVCCXNKFPDNMER-UHFFFAOYSA-N
MW286.41 g/mol
LogP5.91
Rot. Bonds5

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

1-(2,2-difluoroethenoxy)-4-(4-propylcyclohexyl)cyclohexane (PubChem CID 15376156) has the molecular formula C17H28F2O and a molecular weight of 286.41 g/mol. Its IUPAC name is 1-(2,2-difluoroethenoxy)-4-(4-propylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-(2,2-difluoroethenoxy)-4-(4-propylcyclohexyl)cyclohexane
PubChem CID15376156
Molecular FormulaC17H28F2O
Molecular Weight286.41 g/mol
Exact Mass286.21
IUPAC Name1-(2,2-difluoroethenoxy)-4-(4-propylcyclohexyl)cyclohexane
SMILESCCCC1CCC(C2CCC(OC=C(F)F)CC2)CC1
InChIInChI=1S/C17H28F2O/c1-2-3-13-4-6-14(7-5-13)15-8-10-16(11-9-15)20-12-17(18)19/h12-16H,2-11H2,1H3
InChIKeySVCCXNKFPDNMER-UHFFFAOYSA-N
XLogP5.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.41
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

bis[4-(4-propylcyclohexyl)cyclohexyl] carbonate
CID 70479427
1-hepta-2,4-dienoxy-4-(4-propylcyclohexyl)cyclohexane
CID 54380791
2-(4-propylcyclohexyl)-6-(trifluoromethoxy)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22352805
[4-(4-butylcyclohexyl)cyclohexyl] formate
CID 87629999
1-[4-(2-fluoroethyl)cyclohexyl]-4-(4-propylcyclohexyl)cyclohexane
CID 18344057
1-(2-fluoroethyl)-4-(4-propylcyclohexyl)cyclohexane
CID 18344046
1-(2,2-difluoroethyl)-4-(4-propylcyclohexyl)cyclohexane
CID 18659044
1-(ethoxymethyl)-4-(4-propylcyclohexyl)cyclohexane
CID 19850412
1-methyl-4-(4-propylcyclohexyl)cyclohexane
CID 543958
[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl] 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate
CID 123669151
1-hexyl-4-(4-propylcyclohexyl)cyclohexane
CID 19850461
1-decyl-4-[4-(4,4-difluorobut-3-enyl)cyclohexyl]cyclohexane
CID 19842816

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethenoxy)-4-(4-propylcyclohexyl)cyclohexane?
The IUPAC name of 1-(2,2-difluoroethenoxy)-4-(4-propylcyclohexyl)cyclohexane (CID 15376156) is 1-(2,2-difluoroethenoxy)-4-(4-propylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-(2,2-difluoroethenoxy)-4-(4-propylcyclohexyl)cyclohexane?
The canonical SMILES for 1-(2,2-difluoroethenoxy)-4-(4-propylcyclohexyl)cyclohexane is CCCC1CCC(C2CCC(OC=C(F)F)CC2)CC1.
What is the InChIKey of 1-(2,2-difluoroethenoxy)-4-(4-propylcyclohexyl)cyclohexane?
The InChIKey is SVCCXNKFPDNMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28F2O/c1-2-3-13-4-6-14(7-5-13)15-8-10-16(11-9-15)20-12-17(18)19/h12-16H,2-11H2,1H3.
What are the key properties of 1-(2,2-difluoroethenoxy)-4-(4-propylcyclohexyl)cyclohexane?
1-(2,2-difluoroethenoxy)-4-(4-propylcyclohexyl)cyclohexane has a molecular weight of 286.41 g/mol, XLogP of 5.91, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethenoxy)-4-(4-propylcyclohexyl)cyclohexane is sourced from PubChem (CID 15376156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).