1-(1-ethoxy-3-methylcyclohexyl)-N-ethyl-4,4,4-trifluorobutan-1-amine

C15H28F3NO — CID 116768401

IUPAC1-(1-ethoxy-3-methylcyclohexyl)-N-ethyl-4,4,4-trifluorobutan-1-amine
SMILESCCNC(CCC(F)(F)F)C1(OCC)CCCC(C)C1
InChIInChI=1S/C15H28F3NO/c1-4-19-13(8-10-15(16,17)18)14(20-5-2)9-6-7-12(3)11-14/h12-13,19H,4-11H2,1-3H3
InChIKeyUAFPVTGUMQQGIX-UHFFFAOYSA-N
MW295.39 g/mol
LogP4.29
Rot. Bonds7

About 1-(1-ethoxy-3-methylcyclohexyl)-N-ethyl-4,4,4-trifluorobutan-1-amine

1-(1-ethoxy-3-methylcyclohexyl)-N-ethyl-4,4,4-trifluorobutan-1-amine (PubChem CID 116768401) has the molecular formula C15H28F3NO and a molecular weight of 295.39 g/mol. Its IUPAC name is 1-(1-ethoxy-3-methylcyclohexyl)-N-ethyl-4,4,4-trifluorobutan-1-amine.

Molecular Properties

Compound Name1-(1-ethoxy-3-methylcyclohexyl)-N-ethyl-4,4,4-trifluorobutan-1-amine
PubChem CID116768401
Molecular FormulaC15H28F3NO
Molecular Weight295.39 g/mol
Exact Mass295.21
IUPAC Name1-(1-ethoxy-3-methylcyclohexyl)-N-ethyl-4,4,4-trifluorobutan-1-amine
SMILESCCNC(CCC(F)(F)F)C1(OCC)CCCC(C)C1
InChIInChI=1S/C15H28F3NO/c1-4-19-13(8-10-15(16,17)18)14(20-5-2)9-6-7-12(3)11-14/h12-13,19H,4-11H2,1-3H3
InChIKeyUAFPVTGUMQQGIX-UHFFFAOYSA-N
XLogP4.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxy-3-methylcyclohexyl)-N-ethyl-4,4,4-trifluorobutan-1-amine?
The IUPAC name of 1-(1-ethoxy-3-methylcyclohexyl)-N-ethyl-4,4,4-trifluorobutan-1-amine (CID 116768401) is 1-(1-ethoxy-3-methylcyclohexyl)-N-ethyl-4,4,4-trifluorobutan-1-amine.
What is the SMILES notation for 1-(1-ethoxy-3-methylcyclohexyl)-N-ethyl-4,4,4-trifluorobutan-1-amine?
The canonical SMILES for 1-(1-ethoxy-3-methylcyclohexyl)-N-ethyl-4,4,4-trifluorobutan-1-amine is CCNC(CCC(F)(F)F)C1(OCC)CCCC(C)C1.
What is the InChIKey of 1-(1-ethoxy-3-methylcyclohexyl)-N-ethyl-4,4,4-trifluorobutan-1-amine?
The InChIKey is UAFPVTGUMQQGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F3NO/c1-4-19-13(8-10-15(16,17)18)14(20-5-2)9-6-7-12(3)11-14/h12-13,19H,4-11H2,1-3H3.
What are the key properties of 1-(1-ethoxy-3-methylcyclohexyl)-N-ethyl-4,4,4-trifluorobutan-1-amine?
1-(1-ethoxy-3-methylcyclohexyl)-N-ethyl-4,4,4-trifluorobutan-1-amine has a molecular weight of 295.39 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxy-3-methylcyclohexyl)-N-ethyl-4,4,4-trifluorobutan-1-amine is sourced from PubChem (CID 116768401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).