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

C9H13F5O — CID 18684088

IUPAC1,1,2,3,3-pentafluoro-2-(2-methoxyethyl)cyclohexane
SMILESCOCCC1(F)C(F)(F)CCCC1(F)F
InChIInChI=1S/C9H13F5O/c1-15-6-5-7(10)8(11,12)3-2-4-9(7,13)14/h2-6H2,1H3
InChIKeyGEUQJFREMVRPSS-UHFFFAOYSA-N
MW232.19 g/mol
LogP3.19
Rot. Bonds3

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

1,1,2,3,3-pentafluoro-2-(2-methoxyethyl)cyclohexane (PubChem CID 18684088) has the molecular formula C9H13F5O and a molecular weight of 232.19 g/mol. Its IUPAC name is 1,1,2,3,3-pentafluoro-2-(2-methoxyethyl)cyclohexane.

Molecular Properties

Compound Name1,1,2,3,3-pentafluoro-2-(2-methoxyethyl)cyclohexane
PubChem CID18684088
Molecular FormulaC9H13F5O
Molecular Weight232.19 g/mol
Exact Mass232.09
IUPAC Name1,1,2,3,3-pentafluoro-2-(2-methoxyethyl)cyclohexane
SMILESCOCCC1(F)C(F)(F)CCCC1(F)F
InChIInChI=1S/C9H13F5O/c1-15-6-5-7(10)8(11,12)3-2-4-9(7,13)14/h2-6H2,1H3
InChIKeyGEUQJFREMVRPSS-UHFFFAOYSA-N
XLogP3.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.19
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,3-pentafluoro-2-(2-methoxyethyl)cyclohexane?
The IUPAC name of 1,1,2,3,3-pentafluoro-2-(2-methoxyethyl)cyclohexane (CID 18684088) is 1,1,2,3,3-pentafluoro-2-(2-methoxyethyl)cyclohexane.
What is the SMILES notation for 1,1,2,3,3-pentafluoro-2-(2-methoxyethyl)cyclohexane?
The canonical SMILES for 1,1,2,3,3-pentafluoro-2-(2-methoxyethyl)cyclohexane is COCCC1(F)C(F)(F)CCCC1(F)F.
What is the InChIKey of 1,1,2,3,3-pentafluoro-2-(2-methoxyethyl)cyclohexane?
The InChIKey is GEUQJFREMVRPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F5O/c1-15-6-5-7(10)8(11,12)3-2-4-9(7,13)14/h2-6H2,1H3.
What are the key properties of 1,1,2,3,3-pentafluoro-2-(2-methoxyethyl)cyclohexane?
1,1,2,3,3-pentafluoro-2-(2-methoxyethyl)cyclohexane has a molecular weight of 232.19 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,3-pentafluoro-2-(2-methoxyethyl)cyclohexane is sourced from PubChem (CID 18684088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).