1-[1,1,1,3,3,3-hexafluoro-2-(4-propoxycyclohexyl)propan-2-yl]-4-propoxycyclohexane

C21H34F6O2 — CID 20583761

IUPAC1-[1,1,1,3,3,3-hexafluoro-2-(4-propoxycyclohexyl)propan-2-yl]-4-propoxycyclohexane
SMILESCCCOC1CCC(C(C2CCC(OCCC)CC2)(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C21H34F6O2/c1-3-13-28-17-9-5-15(6-10-17)19(20(22,23)24,21(25,26)27)16-7-11-18(12-8-16)29-14-4-2/h15-18H,3-14H2,1-2H3
InChIKeyKRUJEUQFABZZFZ-UHFFFAOYSA-N
MW432.49 g/mol
LogP7.07
Rot. Bonds8

About 1-[1,1,1,3,3,3-hexafluoro-2-(4-propoxycyclohexyl)propan-2-yl]-4-propoxycyclohexane

1-[1,1,1,3,3,3-hexafluoro-2-(4-propoxycyclohexyl)propan-2-yl]-4-propoxycyclohexane (PubChem CID 20583761) has the molecular formula C21H34F6O2 and a molecular weight of 432.49 g/mol. Its IUPAC name is 1-[1,1,1,3,3,3-hexafluoro-2-(4-propoxycyclohexyl)propan-2-yl]-4-propoxycyclohexane.

Molecular Properties

Compound Name1-[1,1,1,3,3,3-hexafluoro-2-(4-propoxycyclohexyl)propan-2-yl]-4-propoxycyclohexane
PubChem CID20583761
Molecular FormulaC21H34F6O2
Molecular Weight432.49 g/mol
Exact Mass432.25
IUPAC Name1-[1,1,1,3,3,3-hexafluoro-2-(4-propoxycyclohexyl)propan-2-yl]-4-propoxycyclohexane
SMILESCCCOC1CCC(C(C2CCC(OCCC)CC2)(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C21H34F6O2/c1-3-13-28-17-9-5-15(6-10-17)19(20(22,23)24,21(25,26)27)16-7-11-18(12-8-16)29-14-4-2/h15-18H,3-14H2,1-2H3
InChIKeyKRUJEUQFABZZFZ-UHFFFAOYSA-N
XLogP7.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.49
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[1,1,1,3,3,3-hexafluoro-2-(4-propoxycyclohexyl)propan-2-yl]-4-propoxycyclohexane 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-[1,1,1,3,3,3-hexafluoro-2-(4-propoxycyclohexyl)propan-2-yl]-4-propoxycyclohexane?
The IUPAC name of 1-[1,1,1,3,3,3-hexafluoro-2-(4-propoxycyclohexyl)propan-2-yl]-4-propoxycyclohexane (CID 20583761) is 1-[1,1,1,3,3,3-hexafluoro-2-(4-propoxycyclohexyl)propan-2-yl]-4-propoxycyclohexane.
What is the SMILES notation for 1-[1,1,1,3,3,3-hexafluoro-2-(4-propoxycyclohexyl)propan-2-yl]-4-propoxycyclohexane?
The canonical SMILES for 1-[1,1,1,3,3,3-hexafluoro-2-(4-propoxycyclohexyl)propan-2-yl]-4-propoxycyclohexane is CCCOC1CCC(C(C2CCC(OCCC)CC2)(C(F)(F)F)C(F)(F)F)CC1.
What is the InChIKey of 1-[1,1,1,3,3,3-hexafluoro-2-(4-propoxycyclohexyl)propan-2-yl]-4-propoxycyclohexane?
The InChIKey is KRUJEUQFABZZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34F6O2/c1-3-13-28-17-9-5-15(6-10-17)19(20(22,23)24,21(25,26)27)16-7-11-18(12-8-16)29-14-4-2/h15-18H,3-14H2,1-2H3.
What are the key properties of 1-[1,1,1,3,3,3-hexafluoro-2-(4-propoxycyclohexyl)propan-2-yl]-4-propoxycyclohexane?
1-[1,1,1,3,3,3-hexafluoro-2-(4-propoxycyclohexyl)propan-2-yl]-4-propoxycyclohexane has a molecular weight of 432.49 g/mol, XLogP of 7.07, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,1,1,3,3,3-hexafluoro-2-(4-propoxycyclohexyl)propan-2-yl]-4-propoxycyclohexane is sourced from PubChem (CID 20583761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).