(2R)-1-(1-ethoxyethyl)-2-methyl-4-(2,2,2-trifluoroethyl)cyclohexane

C13H23F3O — CID 174250404

IUPAC(2R)-1-(1-ethoxyethyl)-2-methyl-4-(2,2,2-trifluoroethyl)cyclohexane
SMILESCCOC(C)C1CCC(CC(F)(F)F)C[C@H]1C
InChIInChI=1S/C13H23F3O/c1-4-17-10(3)12-6-5-11(7-9(12)2)8-13(14,15)16/h9-12H,4-8H2,1-3H3/t9-,10?,11?,12?/m1/s1
InChIKeyZIRXVVVEVPZVKU-QBWABLMJSA-N
MW252.32 g/mol
LogP4.42
Rot. Bonds4

About (2R)-1-(1-ethoxyethyl)-2-methyl-4-(2,2,2-trifluoroethyl)cyclohexane

(2R)-1-(1-ethoxyethyl)-2-methyl-4-(2,2,2-trifluoroethyl)cyclohexane (PubChem CID 174250404) has the molecular formula C13H23F3O and a molecular weight of 252.32 g/mol. Its IUPAC name is (2R)-1-(1-ethoxyethyl)-2-methyl-4-(2,2,2-trifluoroethyl)cyclohexane.

Molecular Properties

Compound Name(2R)-1-(1-ethoxyethyl)-2-methyl-4-(2,2,2-trifluoroethyl)cyclohexane
PubChem CID174250404
Molecular FormulaC13H23F3O
Molecular Weight252.32 g/mol
Exact Mass252.17
IUPAC Name(2R)-1-(1-ethoxyethyl)-2-methyl-4-(2,2,2-trifluoroethyl)cyclohexane
SMILESCCOC(C)C1CCC(CC(F)(F)F)C[C@H]1C
InChIInChI=1S/C13H23F3O/c1-4-17-10(3)12-6-5-11(7-9(12)2)8-13(14,15)16/h9-12H,4-8H2,1-3H3/t9-,10?,11?,12?/m1/s1
InChIKeyZIRXVVVEVPZVKU-QBWABLMJSA-N
XLogP4.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(1-ethoxyethyl)-2-methyl-4-(2,2,2-trifluoroethyl)cyclohexane?
The IUPAC name of (2R)-1-(1-ethoxyethyl)-2-methyl-4-(2,2,2-trifluoroethyl)cyclohexane (CID 174250404) is (2R)-1-(1-ethoxyethyl)-2-methyl-4-(2,2,2-trifluoroethyl)cyclohexane.
What is the SMILES notation for (2R)-1-(1-ethoxyethyl)-2-methyl-4-(2,2,2-trifluoroethyl)cyclohexane?
The canonical SMILES for (2R)-1-(1-ethoxyethyl)-2-methyl-4-(2,2,2-trifluoroethyl)cyclohexane is CCOC(C)C1CCC(CC(F)(F)F)C[C@H]1C.
What is the InChIKey of (2R)-1-(1-ethoxyethyl)-2-methyl-4-(2,2,2-trifluoroethyl)cyclohexane?
The InChIKey is ZIRXVVVEVPZVKU-QBWABLMJSA-N. The full InChI is InChI=1S/C13H23F3O/c1-4-17-10(3)12-6-5-11(7-9(12)2)8-13(14,15)16/h9-12H,4-8H2,1-3H3/t9-,10?,11?,12?/m1/s1.
What are the key properties of (2R)-1-(1-ethoxyethyl)-2-methyl-4-(2,2,2-trifluoroethyl)cyclohexane?
(2R)-1-(1-ethoxyethyl)-2-methyl-4-(2,2,2-trifluoroethyl)cyclohexane has a molecular weight of 252.32 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(1-ethoxyethyl)-2-methyl-4-(2,2,2-trifluoroethyl)cyclohexane is sourced from PubChem (CID 174250404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).