3,3,3-trifluoro-2-[(morpholin-4-ylamino)methyl]propanenitrile

C8H12F3N3O — CID 103367487

IUPAC3,3,3-trifluoro-2-[(morpholin-4-ylamino)methyl]propanenitrile
SMILESN#CC(CNN1CCOCC1)C(F)(F)F
InChIInChI=1S/C8H12F3N3O/c9-8(10,11)7(5-12)6-13-14-1-3-15-4-2-14/h7,13H,1-4,6H2
InChIKeyPFISYHWGTJFWLO-UHFFFAOYSA-N
MW223.20 g/mol
LogP0.53
Rot. Bonds3

About 3,3,3-trifluoro-2-[(morpholin-4-ylamino)methyl]propanenitrile

3,3,3-trifluoro-2-[(morpholin-4-ylamino)methyl]propanenitrile (PubChem CID 103367487) has the molecular formula C8H12F3N3O and a molecular weight of 223.20 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[(morpholin-4-ylamino)methyl]propanenitrile.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[(morpholin-4-ylamino)methyl]propanenitrile
PubChem CID103367487
Molecular FormulaC8H12F3N3O
Molecular Weight223.20 g/mol
Exact Mass223.09
IUPAC Name3,3,3-trifluoro-2-[(morpholin-4-ylamino)methyl]propanenitrile
SMILESN#CC(CNN1CCOCC1)C(F)(F)F
InChIInChI=1S/C8H12F3N3O/c9-8(10,11)7(5-12)6-13-14-1-3-15-4-2-14/h7,13H,1-4,6H2
InChIKeyPFISYHWGTJFWLO-UHFFFAOYSA-N
XLogP0.53
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,3,3-trifluoro-2-[(morpholin-4-ylamino)methyl]propanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2,2,2-trifluoroethoxy)ethyl]morpholin-4-amine
CID 83021805
N-(2,2-difluoroethyl)morpholin-4-amine
CID 83021820
N-(3,3,3-trifluoropropyl)morpholin-4-amine
CID 83022032
N-(4,4,4-trifluorobutyl)morpholin-4-amine
CID 83022131
3-(Morpholinoamino)propanenitrile
CID 12260628
2-Methyl-3-(morpholin-4-ylamino)propanenitrile
CID 83021257

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[(morpholin-4-ylamino)methyl]propanenitrile?
The IUPAC name of 3,3,3-trifluoro-2-[(morpholin-4-ylamino)methyl]propanenitrile (CID 103367487) is 3,3,3-trifluoro-2-[(morpholin-4-ylamino)methyl]propanenitrile.
What is the SMILES notation for 3,3,3-trifluoro-2-[(morpholin-4-ylamino)methyl]propanenitrile?
The canonical SMILES for 3,3,3-trifluoro-2-[(morpholin-4-ylamino)methyl]propanenitrile is N#CC(CNN1CCOCC1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[(morpholin-4-ylamino)methyl]propanenitrile?
The InChIKey is PFISYHWGTJFWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O/c9-8(10,11)7(5-12)6-13-14-1-3-15-4-2-14/h7,13H,1-4,6H2.
What are the key properties of 3,3,3-trifluoro-2-[(morpholin-4-ylamino)methyl]propanenitrile?
3,3,3-trifluoro-2-[(morpholin-4-ylamino)methyl]propanenitrile has a molecular weight of 223.20 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[(morpholin-4-ylamino)methyl]propanenitrile is sourced from PubChem (CID 103367487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).