4-[4-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]butan-2-yl]morpholine

C12H19F3N4O — CID 131936996

IUPAC4-[4-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]butan-2-yl]morpholine
SMILESCC(CCc1ncnn1CC(F)(F)F)N1CCOCC1
InChIInChI=1S/C12H19F3N4O/c1-10(18-4-6-20-7-5-18)2-3-11-16-9-17-19(11)8-12(13,14)15/h9-10H,2-8H2,1H3
InChIKeyLWPHDXQXJQRMPK-UHFFFAOYSA-N
MW292.31 g/mol
LogP1.49
Rot. Bonds5

About 4-[4-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]butan-2-yl]morpholine

4-[4-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]butan-2-yl]morpholine (PubChem CID 131936996) has the molecular formula C12H19F3N4O and a molecular weight of 292.31 g/mol. Its IUPAC name is 4-[4-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]butan-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]butan-2-yl]morpholine
PubChem CID131936996
Molecular FormulaC12H19F3N4O
Molecular Weight292.31 g/mol
Exact Mass292.15
IUPAC Name4-[4-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]butan-2-yl]morpholine
SMILESCC(CCc1ncnn1CC(F)(F)F)N1CCOCC1
InChIInChI=1S/C12H19F3N4O/c1-10(18-4-6-20-7-5-18)2-3-11-16-9-17-19(11)8-12(13,14)15/h9-10H,2-8H2,1H3
InChIKeyLWPHDXQXJQRMPK-UHFFFAOYSA-N
XLogP1.49
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholine
CID 72141688
3-[4-(2-Methoxyethyl)-1,2,4-triazol-3-yl]-1-propan-2-ylpiperidine
CID 73439203
3-[1-(2,2,2-Trifluoroethyl)-1H-1,2,4-triazol-3-yl]morpholine
CID 110209422
4-[(2S)-4-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]butan-2-yl]morpholine
CID 129621331
3,3-Difluoro-1-[4-(2-methoxyethyl)-5-(1-methyl-1,2,4-triazol-3-yl)-1,2,4-triazol-3-yl]piperidine
CID 138011674
(6S)-2,2-dimethyl-4-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6-(trifluoromethyl)morpholine
CID 164637436
5-Ethyl-1-[2-(trifluoromethoxy)ethyl]-1,2,4-triazole
CID 170028031
4-(5-Ethyl-1-methyl-1,2,4-triazol-3-yl)morpholine
CID 3585966
2-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 53587747
N-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 53587805
4-(2-Methylpropyl)-3-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]-1,2,4-triazole
CID 72129865
4-[4-[5-Methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]butan-2-yl]morpholine
CID 72855250

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]butan-2-yl]morpholine?
The IUPAC name of 4-[4-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]butan-2-yl]morpholine (CID 131936996) is 4-[4-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]butan-2-yl]morpholine.
What is the SMILES notation for 4-[4-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]butan-2-yl]morpholine?
The canonical SMILES for 4-[4-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]butan-2-yl]morpholine is CC(CCc1ncnn1CC(F)(F)F)N1CCOCC1.
What is the InChIKey of 4-[4-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]butan-2-yl]morpholine?
The InChIKey is LWPHDXQXJQRMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4O/c1-10(18-4-6-20-7-5-18)2-3-11-16-9-17-19(11)8-12(13,14)15/h9-10H,2-8H2,1H3.
What are the key properties of 4-[4-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]butan-2-yl]morpholine?
4-[4-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]butan-2-yl]morpholine has a molecular weight of 292.31 g/mol, XLogP of 1.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]butan-2-yl]morpholine is sourced from PubChem (CID 131936996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).