1,1-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy]cyclohexane

C14H10F18O2 — CID 54509844

IUPAC1,1-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy]cyclohexane
SMILESFC(F)(F)C(OC1(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)CCCCC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H10F18O2/c15-9(16,17)7(10(18,19)20,11(21,22)23)33-6(4-2-1-3-5-6)34-8(12(24,25)26,13(27,28)29)14(30,31)32/h1-5H2
InChIKeyYIIGADFDIWDGGR-UHFFFAOYSA-N
MW552.20 g/mol
LogP7.53
Rot. Bonds4

About 1,1-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy]cyclohexane

1,1-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy]cyclohexane (PubChem CID 54509844) has the molecular formula C14H10F18O2 and a molecular weight of 552.20 g/mol. Its IUPAC name is 1,1-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy]cyclohexane.

Molecular Properties

Compound Name1,1-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy]cyclohexane
PubChem CID54509844
Molecular FormulaC14H10F18O2
Molecular Weight552.20 g/mol
Exact Mass552.04
IUPAC Name1,1-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy]cyclohexane
SMILESFC(F)(F)C(OC1(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)CCCCC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H10F18O2/c15-9(16,17)7(10(18,19)20,11(21,22)23)33-6(4-2-1-3-5-6)34-8(12(24,25)26,13(27,28)29)14(30,31)32/h1-5H2
InChIKeyYIIGADFDIWDGGR-UHFFFAOYSA-N
XLogP7.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.20
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1,1-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy]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 1,1-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy]cyclohexane?
The IUPAC name of 1,1-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy]cyclohexane (CID 54509844) is 1,1-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy]cyclohexane.
What is the SMILES notation for 1,1-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy]cyclohexane?
The canonical SMILES for 1,1-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy]cyclohexane is FC(F)(F)C(OC1(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)CCCCC1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy]cyclohexane?
The InChIKey is YIIGADFDIWDGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F18O2/c15-9(16,17)7(10(18,19)20,11(21,22)23)33-6(4-2-1-3-5-6)34-8(12(24,25)26,13(27,28)29)14(30,31)32/h1-5H2.
What are the key properties of 1,1-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy]cyclohexane?
1,1-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy]cyclohexane has a molecular weight of 552.20 g/mol, XLogP of 7.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy]cyclohexane is sourced from PubChem (CID 54509844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).