(3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)cyclohexane

C11H16F6O — CID 18725571

IUPAC(3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)cyclohexane
SMILESCCOC(F)(F)C(F)(F)C(F)(F)C1CCCCC1
InChIInChI=1S/C11H16F6O/c1-2-18-11(16,17)10(14,15)9(12,13)8-6-4-3-5-7-8/h8H,2-7H2,1H3
InChIKeyNBHIOXRQZRHUHG-UHFFFAOYSA-N
MW278.24 g/mol
LogP4.47
Rot. Bonds5

About (3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)cyclohexane

(3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)cyclohexane (PubChem CID 18725571) has the molecular formula C11H16F6O and a molecular weight of 278.24 g/mol. Its IUPAC name is (3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)cyclohexane.

Molecular Properties

Compound Name(3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)cyclohexane
PubChem CID18725571
Molecular FormulaC11H16F6O
Molecular Weight278.24 g/mol
Exact Mass278.11
IUPAC Name(3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)cyclohexane
SMILESCCOC(F)(F)C(F)(F)C(F)(F)C1CCCCC1
InChIInChI=1S/C11H16F6O/c1-2-18-11(16,17)10(14,15)9(12,13)8-6-4-3-5-7-8/h8H,2-7H2,1H3
InChIKeyNBHIOXRQZRHUHG-UHFFFAOYSA-N
XLogP4.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.24
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

Perfluorohexylethyl dimethylbutyl ether
CID 10874009
1-[Ethoxy(difluoro)methyl]-4-methylcyclohexane
CID 11805558
[Difluoro(methoxy)methyl]cyclohexane
CID 14491590
2,2,2-Trifluoroethoxymethylcyclohexane
CID 14970149
2-[Chloro(difluoro)methoxy]ethylcyclohexane
CID 101034478
3-[Chloro(difluoro)methoxy]propylcyclohexane
CID 101863779
[Cyclopropylmethoxy(difluoro)methyl]cyclohexane
CID 176426576
[Cyclobutylmethoxy(difluoro)methyl]cyclohexane
CID 176426578
(2-(Pentyloxy)ethyl)cyclohexane
CID 41212
3-(2,2,2-Trifluoroethoxy)propylcyclohexane
CID 121221077
1,1,2,3,3-Pentafluoro-2-(2-methoxyethyl)cyclohexane
CID 18684088
1-[Difluoro(methoxy)methyl]-3-(fluoromethyl)-5-methylcyclohexane
CID 18725562

Frequently Asked Questions

What is the IUPAC name of (3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)cyclohexane?
The IUPAC name of (3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)cyclohexane (CID 18725571) is (3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)cyclohexane.
What is the SMILES notation for (3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)cyclohexane?
The canonical SMILES for (3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)cyclohexane is CCOC(F)(F)C(F)(F)C(F)(F)C1CCCCC1.
What is the InChIKey of (3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)cyclohexane?
The InChIKey is NBHIOXRQZRHUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F6O/c1-2-18-11(16,17)10(14,15)9(12,13)8-6-4-3-5-7-8/h8H,2-7H2,1H3.
What are the key properties of (3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)cyclohexane?
(3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)cyclohexane has a molecular weight of 278.24 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxy-1,1,2,2,3,3-hexafluoropropyl)cyclohexane is sourced from PubChem (CID 18725571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).