2-morpholin-4-yl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-amine

C11H15F3N2O — CID 134088718

IUPAC2-morpholin-4-yl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
SMILESNC1=C(N2CCOCC2)C=CC(C(F)(F)F)C1
InChIInChI=1S/C11H15F3N2O/c12-11(13,14)8-1-2-10(9(15)7-8)16-3-5-17-6-4-16/h1-2,8H,3-7,15H2
InChIKeyXPQKCJMXEVPDCG-UHFFFAOYSA-N
MW248.25 g/mol
LogP1.63
Rot. Bonds1

About 2-morpholin-4-yl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-amine

2-morpholin-4-yl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-amine (PubChem CID 134088718) has the molecular formula C11H15F3N2O and a molecular weight of 248.25 g/mol. Its IUPAC name is 2-morpholin-4-yl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name2-morpholin-4-yl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
PubChem CID134088718
Molecular FormulaC11H15F3N2O
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC Name2-morpholin-4-yl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
SMILESNC1=C(N2CCOCC2)C=CC(C(F)(F)F)C1
InChIInChI=1S/C11H15F3N2O/c12-11(13,14)8-1-2-10(9(15)7-8)16-3-5-17-6-4-16/h1-2,8H,3-7,15H2
InChIKeyXPQKCJMXEVPDCG-UHFFFAOYSA-N
XLogP1.63
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methyl-4-morpholin-4-yl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
CID 68805837
4-(2,6-Dimethylmorpholin-4-yl)-6-fluoro-5-methylcyclohexa-1,3-dien-1-amine
CID 70974453
4-(3,5-Difluoro-4-methylcyclohexa-1,5-dien-1-yl)morpholine
CID 118618025
4-Methyl-4-morpholin-4-yl-3-(trifluoromethyl)cyclohexa-1,5-dien-1-amine
CID 141342997
4-[2,6-difluoro-4-[(E)-prop-1-enyl]cyclohexa-1,5-dien-1-yl]morpholine
CID 164165311
5-Fluoro-4-morpholin-4-ylcyclohexa-2,4-dien-1-amine
CID 167074369
[1-Methyl-4-morpholin-4-yl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]azanide
CID 158358218
2-Morpholin-4-ylcyclohexa-1,3-dien-1-amine
CID 143791062
(3Z)-5-morpholin-4-yl-2-prop-1-en-2-ylhexa-3,5-dien-1-amine
CID 155364830

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-amine?
The IUPAC name of 2-morpholin-4-yl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-amine (CID 134088718) is 2-morpholin-4-yl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 2-morpholin-4-yl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-amine?
The canonical SMILES for 2-morpholin-4-yl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-amine is NC1=C(N2CCOCC2)C=CC(C(F)(F)F)C1.
What is the InChIKey of 2-morpholin-4-yl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-amine?
The InChIKey is XPQKCJMXEVPDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O/c12-11(13,14)8-1-2-10(9(15)7-8)16-3-5-17-6-4-16/h1-2,8H,3-7,15H2.
What are the key properties of 2-morpholin-4-yl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-amine?
2-morpholin-4-yl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-amine has a molecular weight of 248.25 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 134088718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).