1-(2-ethoxy-1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methylcyclohexane

C12H18F6O — CID 139382934

IUPAC1-(2-ethoxy-1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methylcyclohexane
SMILESCCOC(C1CCC(C)CC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H18F6O/c1-3-19-10(11(13,14)15,12(16,17)18)9-6-4-8(2)5-7-9/h8-9H,3-7H2,1-2H3
InChIKeyFCFNELDDVUDOMA-UHFFFAOYSA-N
MW292.26 g/mol
LogP4.71
Rot. Bonds3

About 1-(2-ethoxy-1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methylcyclohexane

1-(2-ethoxy-1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methylcyclohexane (PubChem CID 139382934) has the molecular formula C12H18F6O and a molecular weight of 292.26 g/mol. Its IUPAC name is 1-(2-ethoxy-1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methylcyclohexane.

Molecular Properties

Compound Name1-(2-ethoxy-1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methylcyclohexane
PubChem CID139382934
Molecular FormulaC12H18F6O
Molecular Weight292.26 g/mol
Exact Mass292.13
IUPAC Name1-(2-ethoxy-1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methylcyclohexane
SMILESCCOC(C1CCC(C)CC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H18F6O/c1-3-19-10(11(13,14)15,12(16,17)18)9-6-4-8(2)5-7-9/h8-9H,3-7H2,1-2H3
InChIKeyFCFNELDDVUDOMA-UHFFFAOYSA-N
XLogP4.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methylcyclohexane?
The IUPAC name of 1-(2-ethoxy-1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methylcyclohexane (CID 139382934) is 1-(2-ethoxy-1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methylcyclohexane.
What is the SMILES notation for 1-(2-ethoxy-1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methylcyclohexane?
The canonical SMILES for 1-(2-ethoxy-1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methylcyclohexane is CCOC(C1CCC(C)CC1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-(2-ethoxy-1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methylcyclohexane?
The InChIKey is FCFNELDDVUDOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F6O/c1-3-19-10(11(13,14)15,12(16,17)18)9-6-4-8(2)5-7-9/h8-9H,3-7H2,1-2H3.
What are the key properties of 1-(2-ethoxy-1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methylcyclohexane?
1-(2-ethoxy-1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methylcyclohexane has a molecular weight of 292.26 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methylcyclohexane is sourced from PubChem (CID 139382934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).