1,1,2,2,3-pentafluoro-3-(methoxymethyl)cyclohexane

C8H11F5O — CID 58107108

IUPAC1,1,2,2,3-pentafluoro-3-(methoxymethyl)cyclohexane
SMILESCOCC1(F)CCCC(F)(F)C1(F)F
InChIInChI=1S/C8H11F5O/c1-14-5-6(9)3-2-4-7(10,11)8(6,12)13/h2-5H2,1H3
InChIKeyVGDZTNWLXJSACX-UHFFFAOYSA-N
MW218.16 g/mol
LogP2.80
Rot. Bonds2

About 1,1,2,2,3-pentafluoro-3-(methoxymethyl)cyclohexane

1,1,2,2,3-pentafluoro-3-(methoxymethyl)cyclohexane (PubChem CID 58107108) has the molecular formula C8H11F5O and a molecular weight of 218.16 g/mol. Its IUPAC name is 1,1,2,2,3-pentafluoro-3-(methoxymethyl)cyclohexane.

Molecular Properties

Compound Name1,1,2,2,3-pentafluoro-3-(methoxymethyl)cyclohexane
PubChem CID58107108
Molecular FormulaC8H11F5O
Molecular Weight218.16 g/mol
Exact Mass218.07
IUPAC Name1,1,2,2,3-pentafluoro-3-(methoxymethyl)cyclohexane
SMILESCOCC1(F)CCCC(F)(F)C1(F)F
InChIInChI=1S/C8H11F5O/c1-14-5-6(9)3-2-4-7(10,11)8(6,12)13/h2-5H2,1H3
InChIKeyVGDZTNWLXJSACX-UHFFFAOYSA-N
XLogP2.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.16
LogP ≤ 52.80
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

[Difluoro(methoxy)methyl]cyclohexane
CID 14491590
2,2,2-Trifluoroethoxymethylcyclohexane
CID 14970149
1-Methyl-1-(2,2,2-trifluoroethoxy)cyclohexane
CID 21638554
1-(1,1,1,3,3,3-Hexafluoropropan-2-yloxy)-1-methylcyclohexane
CID 21638555
Cyclohexane, 1-(difluoromethoxymethyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluoro-
CID 9863766
1,1,2,3,3-Pentafluoro-2-(2-methoxyethyl)cyclohexane
CID 18684088
1-[Difluoro(methoxy)methyl]-4-fluorocyclohexane
CID 18725564
(1-Ethoxy-1,1,2,3,3,3-hexafluoropropan-2-yl)cyclohexane
CID 18725566
1-Methoxy-2-(trifluoromethyl)cyclohexane
CID 18725568
(3-Ethoxy-1,1,2,2,3,3-hexafluoropropyl)cyclohexane
CID 18725571
[Ethoxy(difluoro)methyl]cyclohexane
CID 18725579
1-[Ethoxy(difluoro)methyl]-4-fluorocyclohexane
CID 18731749

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3-pentafluoro-3-(methoxymethyl)cyclohexane?
The IUPAC name of 1,1,2,2,3-pentafluoro-3-(methoxymethyl)cyclohexane (CID 58107108) is 1,1,2,2,3-pentafluoro-3-(methoxymethyl)cyclohexane.
What is the SMILES notation for 1,1,2,2,3-pentafluoro-3-(methoxymethyl)cyclohexane?
The canonical SMILES for 1,1,2,2,3-pentafluoro-3-(methoxymethyl)cyclohexane is COCC1(F)CCCC(F)(F)C1(F)F.
What is the InChIKey of 1,1,2,2,3-pentafluoro-3-(methoxymethyl)cyclohexane?
The InChIKey is VGDZTNWLXJSACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F5O/c1-14-5-6(9)3-2-4-7(10,11)8(6,12)13/h2-5H2,1H3.
What are the key properties of 1,1,2,2,3-pentafluoro-3-(methoxymethyl)cyclohexane?
1,1,2,2,3-pentafluoro-3-(methoxymethyl)cyclohexane has a molecular weight of 218.16 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3-pentafluoro-3-(methoxymethyl)cyclohexane is sourced from PubChem (CID 58107108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).