[1-methyl-4-morpholin-4-yl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]azanide

C12H16F3N2O- — CID 158358218

IUPAC[1-methyl-4-morpholin-4-yl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]azanide
SMILESCC1([NH-])CC=C(N2CCOCC2)C=C1C(F)(F)F
InChIInChI=1S/C12H16F3N2O/c1-11(16)3-2-9(8-10(11)12(13,14)15)17-4-6-18-7-5-17/h2,8,16H,3-7H2,1H3/q-1
InChIKeyGTDJTVWMKQDLSO-UHFFFAOYSA-N
MW261.27 g/mol
LogP2.91
Rot. Bonds1

About [1-methyl-4-morpholin-4-yl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]azanide

[1-methyl-4-morpholin-4-yl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]azanide (PubChem CID 158358218) has the molecular formula C12H16F3N2O- and a molecular weight of 261.27 g/mol. Its IUPAC name is [1-methyl-4-morpholin-4-yl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]azanide.

Molecular Properties

Compound Name[1-methyl-4-morpholin-4-yl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]azanide
PubChem CID158358218
Molecular FormulaC12H16F3N2O-
Molecular Weight261.27 g/mol
Exact Mass261.12
IUPAC Name[1-methyl-4-morpholin-4-yl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]azanide
SMILESCC1([NH-])CC=C(N2CCOCC2)C=C1C(F)(F)F
InChIInChI=1S/C12H16F3N2O/c1-11(16)3-2-9(8-10(11)12(13,14)15)17-4-6-18-7-5-17/h2,8,16H,3-7H2,1H3/q-1
InChIKeyGTDJTVWMKQDLSO-UHFFFAOYSA-N
XLogP2.91
TPSA36.27 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methyl-4-morpholin-4-yl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
CID 68805837
4-Methyl-4-morpholin-4-yl-3-(trifluoromethyl)cyclohexa-1,5-dien-1-amine
CID 141342997
(2E,4Z)-N-[(3E,5E)-8,8-difluoro-4-morpholin-4-ylnona-3,5-dien-5-yl]-4-methyl-3-propan-2-ylhepta-2,4,6-trien-2-amine;ethane
CID 144055153
6-Fluoro-1-methyl-4-(morpholin-4-ylmethyl)cyclohexa-2,4-dien-1-amine
CID 162439986
4-[5-(Trifluoromethyl)cyclohexa-1,5-dien-1-yl]morpholine
CID 173053695
3-(2-Morpholin-4-ylethyl)-3-(trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine
CID 175313584
(Z)-2,2,2-Trifluoro-1-(2-morpholinocyclohex-2-en-1-ylidene)ethanamine
CID 13166304
2,2,2-Trifluoro-1-(2-morpholin-4-ylcyclohex-2-en-1-ylidene)ethanamine
CID 92134857
2-Morpholin-4-yl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
CID 134088718
(2E,4Z)-N-[(3E,5E)-8,8-difluoro-4-morpholin-4-ylnona-3,5-dien-5-yl]-4-methyl-3-propan-2-ylhepta-2,4,6-trien-2-amine
CID 144055154
3-(3-Morpholin-4-ylpropyl)-3-(trifluoromethyl)cyclohexa-1,5-dien-1-amine
CID 152099157
(4S)-5-methyl-4-morpholin-4-ylcyclohexa-1,5-dien-1-amine
CID 163525167

Frequently Asked Questions

What is the IUPAC name of [1-methyl-4-morpholin-4-yl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]azanide?
The IUPAC name of [1-methyl-4-morpholin-4-yl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]azanide (CID 158358218) is [1-methyl-4-morpholin-4-yl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]azanide.
What is the SMILES notation for [1-methyl-4-morpholin-4-yl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]azanide?
The canonical SMILES for [1-methyl-4-morpholin-4-yl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]azanide is CC1([NH-])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-yl]azanide?
The InChIKey is GTDJTVWMKQDLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N2O/c1-11(16)3-2-9(8-10(11)12(13,14)15)17-4-6-18-7-5-17/h2,8,16H,3-7H2,1H3/q-1.
What are the key properties of [1-methyl-4-morpholin-4-yl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]azanide?
[1-methyl-4-morpholin-4-yl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]azanide has a molecular weight of 261.27 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 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-yl]azanide is sourced from PubChem (CID 158358218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).