1-methyl-4-morpholin-4-yl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-amine

C12H17F3N2O — CID 68805837

IUPAC1-methyl-4-morpholin-4-yl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
SMILESCC1(N)CC=C(N2CCOCC2)C=C1C(F)(F)F
InChIInChI=1S/C12H17F3N2O/c1-11(16)3-2-9(8-10(11)12(13,14)15)17-4-6-18-7-5-17/h2,8H,3-7,16H2,1H3
InChIKeyZHPFMFSQCWYGSI-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.81
Rot. Bonds1

About 1-methyl-4-morpholin-4-yl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-amine

1-methyl-4-morpholin-4-yl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-amine (PubChem CID 68805837) has the molecular formula C12H17F3N2O and a molecular weight of 262.27 g/mol. Its IUPAC name is 1-methyl-4-morpholin-4-yl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name1-methyl-4-morpholin-4-yl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
PubChem CID68805837
Molecular FormulaC12H17F3N2O
Molecular Weight262.27 g/mol
Exact Mass262.13
IUPAC Name1-methyl-4-morpholin-4-yl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
SMILESCC1(N)CC=C(N2CCOCC2)C=C1C(F)(F)F
InChIInChI=1S/C12H17F3N2O/c1-11(16)3-2-9(8-10(11)12(13,14)15)17-4-6-18-7-5-17/h2,8H,3-7,16H2,1H3
InChIKeyZHPFMFSQCWYGSI-UHFFFAOYSA-N
XLogP1.81
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-morpholin-4-yl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-amine?
The IUPAC name of 1-methyl-4-morpholin-4-yl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-amine (CID 68805837) is 1-methyl-4-morpholin-4-yl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 1-methyl-4-morpholin-4-yl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-amine?
The canonical SMILES for 1-methyl-4-morpholin-4-yl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-amine is CC1(N)CC=C(N2CCOCC2)C=C1C(F)(F)F.
What is the InChIKey of 1-methyl-4-morpholin-4-yl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-amine?
The InChIKey is ZHPFMFSQCWYGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O/c1-11(16)3-2-9(8-10(11)12(13,14)15)17-4-6-18-7-5-17/h2,8H,3-7,16H2,1H3.
What are the key properties of 1-methyl-4-morpholin-4-yl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-amine?
1-methyl-4-morpholin-4-yl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-amine has a molecular weight of 262.27 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-morpholin-4-yl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 68805837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).