1-ethyl-4-[4-(1,2,3,3-tetrafluoroprop-2-enoxy)cyclohexyl]cyclohexane

C17H26F4O — CID 71187754

IUPAC1-ethyl-4-[4-(1,2,3,3-tetrafluoroprop-2-enoxy)cyclohexyl]cyclohexane
SMILESCCC1CCC(C2CCC(OC(F)C(F)=C(F)F)CC2)CC1
InChIInChI=1S/C17H26F4O/c1-2-11-3-5-12(6-4-11)13-7-9-14(10-8-13)22-17(21)15(18)16(19)20/h11-14,17H,2-10H2,1H3
InChIKeyZEPIJQWFWBUSHG-UHFFFAOYSA-N
MW322.39 g/mol
LogP6.15
Rot. Bonds5

About 1-ethyl-4-[4-(1,2,3,3-tetrafluoroprop-2-enoxy)cyclohexyl]cyclohexane

1-ethyl-4-[4-(1,2,3,3-tetrafluoroprop-2-enoxy)cyclohexyl]cyclohexane (PubChem CID 71187754) has the molecular formula C17H26F4O and a molecular weight of 322.39 g/mol. Its IUPAC name is 1-ethyl-4-[4-(1,2,3,3-tetrafluoroprop-2-enoxy)cyclohexyl]cyclohexane.

Molecular Properties

Compound Name1-ethyl-4-[4-(1,2,3,3-tetrafluoroprop-2-enoxy)cyclohexyl]cyclohexane
PubChem CID71187754
Molecular FormulaC17H26F4O
Molecular Weight322.39 g/mol
Exact Mass322.19
IUPAC Name1-ethyl-4-[4-(1,2,3,3-tetrafluoroprop-2-enoxy)cyclohexyl]cyclohexane
SMILESCCC1CCC(C2CCC(OC(F)C(F)=C(F)F)CC2)CC1
InChIInChI=1S/C17H26F4O/c1-2-11-3-5-12(6-4-11)13-7-9-14(10-8-13)22-17(21)15(18)16(19)20/h11-14,17H,2-10H2,1H3
InChIKeyZEPIJQWFWBUSHG-UHFFFAOYSA-N
XLogP6.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.39
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-ethyl-4-[4-(1,2,3,3-tetrafluoroprop-2-enoxy)cyclohexyl]cyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Ethoxy-2,3-difluoro-4-(4-propylcyclohexyl)cyclohexane
CID 57298880
1-(1,1,2,2,2-Pentafluoroethoxy)-4-(4-propylcyclohexyl)cyclohexane
CID 11198653
(1alpha,1'beta)-4beta-Pentyl-4'alpha-(trifluoromethoxy)-1,1'-bicyclohexane
CID 15002009
1-Propyl-4-[4-(trifluoromethoxy)cyclohexyl]cyclohexane
CID 15002012
1-Propyl-4-[4-(1,2,2,2-tetrafluoroethoxy)cyclohexyl]cyclohexane
CID 15218814
1-(2,2-Difluoroethenoxy)-4-(4-propylcyclohexyl)cyclohexane
CID 15376156
1-Nonoxy-4-[4-(3,3,3-trifluoropropyl)cyclohexyl]cyclohexane
CID 19026510
1-Propoxy-4-[4-(3,3,3-trifluoropropyl)cyclohexyl]cyclohexane
CID 19026514
1-Methoxy-4-[4-(3,3,3-trifluoropropyl)cyclohexyl]cyclohexane
CID 19026517
1-Ethoxy-4-[4-(3,3,3-trifluoropropyl)cyclohexyl]cyclohexane
CID 19026535
1-Octoxy-4-[4-(2,2,2-trifluoroethyl)cyclohexyl]cyclohexane
CID 19026562
1-Pentoxy-4-[4-(2,2,2-trifluoroethyl)cyclohexyl]cyclohexane
CID 19026563

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[4-(1,2,3,3-tetrafluoroprop-2-enoxy)cyclohexyl]cyclohexane?
The IUPAC name of 1-ethyl-4-[4-(1,2,3,3-tetrafluoroprop-2-enoxy)cyclohexyl]cyclohexane (CID 71187754) is 1-ethyl-4-[4-(1,2,3,3-tetrafluoroprop-2-enoxy)cyclohexyl]cyclohexane.
What is the SMILES notation for 1-ethyl-4-[4-(1,2,3,3-tetrafluoroprop-2-enoxy)cyclohexyl]cyclohexane?
The canonical SMILES for 1-ethyl-4-[4-(1,2,3,3-tetrafluoroprop-2-enoxy)cyclohexyl]cyclohexane is CCC1CCC(C2CCC(OC(F)C(F)=C(F)F)CC2)CC1.
What is the InChIKey of 1-ethyl-4-[4-(1,2,3,3-tetrafluoroprop-2-enoxy)cyclohexyl]cyclohexane?
The InChIKey is ZEPIJQWFWBUSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F4O/c1-2-11-3-5-12(6-4-11)13-7-9-14(10-8-13)22-17(21)15(18)16(19)20/h11-14,17H,2-10H2,1H3.
What are the key properties of 1-ethyl-4-[4-(1,2,3,3-tetrafluoroprop-2-enoxy)cyclohexyl]cyclohexane?
1-ethyl-4-[4-(1,2,3,3-tetrafluoroprop-2-enoxy)cyclohexyl]cyclohexane has a molecular weight of 322.39 g/mol, XLogP of 6.15, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[4-(1,2,3,3-tetrafluoroprop-2-enoxy)cyclohexyl]cyclohexane is sourced from PubChem (CID 71187754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).