1-propyl-4-[4-(1,2,2,2-tetrafluoroethoxy)cyclohexyl]cyclohexane

C17H28F4O — CID 15218814

IUPAC1-propyl-4-[4-(1,2,2,2-tetrafluoroethoxy)cyclohexyl]cyclohexane
SMILESCCCC1CCC(C2CCC(OC(F)C(F)(F)F)CC2)CC1
InChIInChI=1S/C17H28F4O/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(11-9-14)22-16(18)17(19,20)21/h12-16H,2-11H2,1H3
InChIKeyIQVYKBQGZMGKJM-UHFFFAOYSA-N
MW324.40 g/mol
LogP6.03
Rot. Bonds5

About 1-propyl-4-[4-(1,2,2,2-tetrafluoroethoxy)cyclohexyl]cyclohexane

1-propyl-4-[4-(1,2,2,2-tetrafluoroethoxy)cyclohexyl]cyclohexane (PubChem CID 15218814) has the molecular formula C17H28F4O and a molecular weight of 324.40 g/mol. Its IUPAC name is 1-propyl-4-[4-(1,2,2,2-tetrafluoroethoxy)cyclohexyl]cyclohexane.

Molecular Properties

Compound Name1-propyl-4-[4-(1,2,2,2-tetrafluoroethoxy)cyclohexyl]cyclohexane
PubChem CID15218814
Molecular FormulaC17H28F4O
Molecular Weight324.40 g/mol
Exact Mass324.21
IUPAC Name1-propyl-4-[4-(1,2,2,2-tetrafluoroethoxy)cyclohexyl]cyclohexane
SMILESCCCC1CCC(C2CCC(OC(F)C(F)(F)F)CC2)CC1
InChIInChI=1S/C17H28F4O/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(11-9-14)22-16(18)17(19,20)21/h12-16H,2-11H2,1H3
InChIKeyIQVYKBQGZMGKJM-UHFFFAOYSA-N
XLogP6.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.40
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-propyl-4-[4-(1,2,2,2-tetrafluoroethoxy)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

Frequently Asked Questions

What is the IUPAC name of 1-propyl-4-[4-(1,2,2,2-tetrafluoroethoxy)cyclohexyl]cyclohexane?
The IUPAC name of 1-propyl-4-[4-(1,2,2,2-tetrafluoroethoxy)cyclohexyl]cyclohexane (CID 15218814) is 1-propyl-4-[4-(1,2,2,2-tetrafluoroethoxy)cyclohexyl]cyclohexane.
What is the SMILES notation for 1-propyl-4-[4-(1,2,2,2-tetrafluoroethoxy)cyclohexyl]cyclohexane?
The canonical SMILES for 1-propyl-4-[4-(1,2,2,2-tetrafluoroethoxy)cyclohexyl]cyclohexane is CCCC1CCC(C2CCC(OC(F)C(F)(F)F)CC2)CC1.
What is the InChIKey of 1-propyl-4-[4-(1,2,2,2-tetrafluoroethoxy)cyclohexyl]cyclohexane?
The InChIKey is IQVYKBQGZMGKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28F4O/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(11-9-14)22-16(18)17(19,20)21/h12-16H,2-11H2,1H3.
What are the key properties of 1-propyl-4-[4-(1,2,2,2-tetrafluoroethoxy)cyclohexyl]cyclohexane?
1-propyl-4-[4-(1,2,2,2-tetrafluoroethoxy)cyclohexyl]cyclohexane has a molecular weight of 324.40 g/mol, XLogP of 6.03, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-4-[4-(1,2,2,2-tetrafluoroethoxy)cyclohexyl]cyclohexane is sourced from PubChem (CID 15218814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).