(2-ethoxy-1,1,1-trifluoropropan-2-yl)cyclohexane

C11H19F3O — CID 159288750

IUPAC(2-ethoxy-1,1,1-trifluoropropan-2-yl)cyclohexane
SMILESCCOC(C)(C1CCCCC1)C(F)(F)F
InChIInChI=1S/C11H19F3O/c1-3-15-10(2,11(12,13)14)9-7-5-4-6-8-9/h9H,3-8H2,1-2H3
InChIKeyKZVNTYXCQUXPIW-UHFFFAOYSA-N
MW224.27 g/mol
LogP3.92
Rot. Bonds3

About (2-ethoxy-1,1,1-trifluoropropan-2-yl)cyclohexane

(2-ethoxy-1,1,1-trifluoropropan-2-yl)cyclohexane (PubChem CID 159288750) has the molecular formula C11H19F3O and a molecular weight of 224.27 g/mol. Its IUPAC name is (2-ethoxy-1,1,1-trifluoropropan-2-yl)cyclohexane.

Molecular Properties

Compound Name(2-ethoxy-1,1,1-trifluoropropan-2-yl)cyclohexane
PubChem CID159288750
Molecular FormulaC11H19F3O
Molecular Weight224.27 g/mol
Exact Mass224.14
IUPAC Name(2-ethoxy-1,1,1-trifluoropropan-2-yl)cyclohexane
SMILESCCOC(C)(C1CCCCC1)C(F)(F)F
InChIInChI=1S/C11H19F3O/c1-3-15-10(2,11(12,13)14)9-7-5-4-6-8-9/h9H,3-8H2,1-2H3
InChIKeyKZVNTYXCQUXPIW-UHFFFAOYSA-N
XLogP3.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-1,1,1-trifluoropropan-2-yl)cyclohexane?
The IUPAC name of (2-ethoxy-1,1,1-trifluoropropan-2-yl)cyclohexane (CID 159288750) is (2-ethoxy-1,1,1-trifluoropropan-2-yl)cyclohexane.
What is the SMILES notation for (2-ethoxy-1,1,1-trifluoropropan-2-yl)cyclohexane?
The canonical SMILES for (2-ethoxy-1,1,1-trifluoropropan-2-yl)cyclohexane is CCOC(C)(C1CCCCC1)C(F)(F)F.
What is the InChIKey of (2-ethoxy-1,1,1-trifluoropropan-2-yl)cyclohexane?
The InChIKey is KZVNTYXCQUXPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3O/c1-3-15-10(2,11(12,13)14)9-7-5-4-6-8-9/h9H,3-8H2,1-2H3.
What are the key properties of (2-ethoxy-1,1,1-trifluoropropan-2-yl)cyclohexane?
(2-ethoxy-1,1,1-trifluoropropan-2-yl)cyclohexane has a molecular weight of 224.27 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-1,1,1-trifluoropropan-2-yl)cyclohexane is sourced from PubChem (CID 159288750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).