(2-cyclohexyloxy-1,1,1,3,3,3-hexafluoropropan-2-yl)oxycyclohexane

C15H22F6O2 — CID 87117951

IUPAC(2-cyclohexyloxy-1,1,1,3,3,3-hexafluoropropan-2-yl)oxycyclohexane
SMILESFC(F)(F)C(OC1CCCCC1)(OC1CCCCC1)C(F)(F)F
InChIInChI=1S/C15H22F6O2/c16-14(17,18)13(15(19,20)21,22-11-7-3-1-4-8-11)23-12-9-5-2-6-10-12/h11-12H,1-10H2
InChIKeySZRXFFGZGZACHU-UHFFFAOYSA-N
MW348.33 g/mol
LogP5.51
Rot. Bonds4

About (2-cyclohexyloxy-1,1,1,3,3,3-hexafluoropropan-2-yl)oxycyclohexane

(2-cyclohexyloxy-1,1,1,3,3,3-hexafluoropropan-2-yl)oxycyclohexane (PubChem CID 87117951) has the molecular formula C15H22F6O2 and a molecular weight of 348.33 g/mol. Its IUPAC name is (2-cyclohexyloxy-1,1,1,3,3,3-hexafluoropropan-2-yl)oxycyclohexane.

Molecular Properties

Compound Name(2-cyclohexyloxy-1,1,1,3,3,3-hexafluoropropan-2-yl)oxycyclohexane
PubChem CID87117951
Molecular FormulaC15H22F6O2
Molecular Weight348.33 g/mol
Exact Mass348.15
IUPAC Name(2-cyclohexyloxy-1,1,1,3,3,3-hexafluoropropan-2-yl)oxycyclohexane
SMILESFC(F)(F)C(OC1CCCCC1)(OC1CCCCC1)C(F)(F)F
InChIInChI=1S/C15H22F6O2/c16-14(17,18)13(15(19,20)21,22-11-7-3-1-4-8-11)23-12-9-5-2-6-10-12/h11-12H,1-10H2
InChIKeySZRXFFGZGZACHU-UHFFFAOYSA-N
XLogP5.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.33
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-cyclohexyloxy-1,1,1,3,3,3-hexafluoropropan-2-yl)oxycyclohexane?
The IUPAC name of (2-cyclohexyloxy-1,1,1,3,3,3-hexafluoropropan-2-yl)oxycyclohexane (CID 87117951) is (2-cyclohexyloxy-1,1,1,3,3,3-hexafluoropropan-2-yl)oxycyclohexane.
What is the SMILES notation for (2-cyclohexyloxy-1,1,1,3,3,3-hexafluoropropan-2-yl)oxycyclohexane?
The canonical SMILES for (2-cyclohexyloxy-1,1,1,3,3,3-hexafluoropropan-2-yl)oxycyclohexane is FC(F)(F)C(OC1CCCCC1)(OC1CCCCC1)C(F)(F)F.
What is the InChIKey of (2-cyclohexyloxy-1,1,1,3,3,3-hexafluoropropan-2-yl)oxycyclohexane?
The InChIKey is SZRXFFGZGZACHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F6O2/c16-14(17,18)13(15(19,20)21,22-11-7-3-1-4-8-11)23-12-9-5-2-6-10-12/h11-12H,1-10H2.
What are the key properties of (2-cyclohexyloxy-1,1,1,3,3,3-hexafluoropropan-2-yl)oxycyclohexane?
(2-cyclohexyloxy-1,1,1,3,3,3-hexafluoropropan-2-yl)oxycyclohexane has a molecular weight of 348.33 g/mol, XLogP of 5.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclohexyloxy-1,1,1,3,3,3-hexafluoropropan-2-yl)oxycyclohexane is sourced from PubChem (CID 87117951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).