2-(4-methylcyclohexyl)oxy-N-(2,2,2-trifluoroethyl)propan-1-amine

C12H22F3NO — CID 62566700

IUPAC2-(4-methylcyclohexyl)oxy-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC1CCC(OC(C)CNCC(F)(F)F)CC1
InChIInChI=1S/C12H22F3NO/c1-9-3-5-11(6-4-9)17-10(2)7-16-8-12(13,14)15/h9-11,16H,3-8H2,1-2H3
InChIKeyCRZKQERJRIUWHP-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.12
Rot. Bonds5

About 2-(4-methylcyclohexyl)oxy-N-(2,2,2-trifluoroethyl)propan-1-amine

2-(4-methylcyclohexyl)oxy-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 62566700) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-(4-methylcyclohexyl)oxy-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name2-(4-methylcyclohexyl)oxy-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID62566700
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name2-(4-methylcyclohexyl)oxy-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC1CCC(OC(C)CNCC(F)(F)F)CC1
InChIInChI=1S/C12H22F3NO/c1-9-3-5-11(6-4-9)17-10(2)7-16-8-12(13,14)15/h9-11,16H,3-8H2,1-2H3
InChIKeyCRZKQERJRIUWHP-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylcyclohexyl)oxy-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 2-(4-methylcyclohexyl)oxy-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 62566700) is 2-(4-methylcyclohexyl)oxy-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 2-(4-methylcyclohexyl)oxy-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 2-(4-methylcyclohexyl)oxy-N-(2,2,2-trifluoroethyl)propan-1-amine is CC1CCC(OC(C)CNCC(F)(F)F)CC1.
What is the InChIKey of 2-(4-methylcyclohexyl)oxy-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is CRZKQERJRIUWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-9-3-5-11(6-4-9)17-10(2)7-16-8-12(13,14)15/h9-11,16H,3-8H2,1-2H3.
What are the key properties of 2-(4-methylcyclohexyl)oxy-N-(2,2,2-trifluoroethyl)propan-1-amine?
2-(4-methylcyclohexyl)oxy-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 253.31 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylcyclohexyl)oxy-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 62566700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).