1-(3-cyclohexylpropyl)-3-(1,1,2,2-tetrafluoroethoxy)cyclohexane

C17H28F4O — CID 57198172

IUPAC1-(3-cyclohexylpropyl)-3-(1,1,2,2-tetrafluoroethoxy)cyclohexane
SMILESFC(F)C(F)(F)OC1CCCC(CCCC2CCCCC2)C1
InChIInChI=1S/C17H28F4O/c18-16(19)17(20,21)22-15-11-5-10-14(12-15)9-4-8-13-6-2-1-3-7-13/h13-16H,1-12H2
InChIKeyADCVYTSPHFGEJE-UHFFFAOYSA-N
MW324.40 g/mol
LogP6.17
Rot. Bonds7

About 1-(3-cyclohexylpropyl)-3-(1,1,2,2-tetrafluoroethoxy)cyclohexane

1-(3-cyclohexylpropyl)-3-(1,1,2,2-tetrafluoroethoxy)cyclohexane (PubChem CID 57198172) has the molecular formula C17H28F4O and a molecular weight of 324.40 g/mol. Its IUPAC name is 1-(3-cyclohexylpropyl)-3-(1,1,2,2-tetrafluoroethoxy)cyclohexane.

Molecular Properties

Compound Name1-(3-cyclohexylpropyl)-3-(1,1,2,2-tetrafluoroethoxy)cyclohexane
PubChem CID57198172
Molecular FormulaC17H28F4O
Molecular Weight324.40 g/mol
Exact Mass324.21
IUPAC Name1-(3-cyclohexylpropyl)-3-(1,1,2,2-tetrafluoroethoxy)cyclohexane
SMILESFC(F)C(F)(F)OC1CCCC(CCCC2CCCCC2)C1
InChIInChI=1S/C17H28F4O/c18-16(19)17(20,21)22-15-11-5-10-14(12-15)9-4-8-13-6-2-1-3-7-13/h13-16H,1-12H2
InChIKeyADCVYTSPHFGEJE-UHFFFAOYSA-N
XLogP6.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.40
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclohexylpropyl)-3-(1,1,2,2-tetrafluoroethoxy)cyclohexane?
The IUPAC name of 1-(3-cyclohexylpropyl)-3-(1,1,2,2-tetrafluoroethoxy)cyclohexane (CID 57198172) is 1-(3-cyclohexylpropyl)-3-(1,1,2,2-tetrafluoroethoxy)cyclohexane.
What is the SMILES notation for 1-(3-cyclohexylpropyl)-3-(1,1,2,2-tetrafluoroethoxy)cyclohexane?
The canonical SMILES for 1-(3-cyclohexylpropyl)-3-(1,1,2,2-tetrafluoroethoxy)cyclohexane is FC(F)C(F)(F)OC1CCCC(CCCC2CCCCC2)C1.
What is the InChIKey of 1-(3-cyclohexylpropyl)-3-(1,1,2,2-tetrafluoroethoxy)cyclohexane?
The InChIKey is ADCVYTSPHFGEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28F4O/c18-16(19)17(20,21)22-15-11-5-10-14(12-15)9-4-8-13-6-2-1-3-7-13/h13-16H,1-12H2.
What are the key properties of 1-(3-cyclohexylpropyl)-3-(1,1,2,2-tetrafluoroethoxy)cyclohexane?
1-(3-cyclohexylpropyl)-3-(1,1,2,2-tetrafluoroethoxy)cyclohexane has a molecular weight of 324.40 g/mol, XLogP of 6.17, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclohexylpropyl)-3-(1,1,2,2-tetrafluoroethoxy)cyclohexane is sourced from PubChem (CID 57198172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).