2-[(2-cyano-3,3,3-trifluoropropyl)-ethylamino]-N-methylacetamide

C9H14F3N3O — CID 103367792

IUPAC2-[(2-cyano-3,3,3-trifluoropropyl)-ethylamino]-N-methylacetamide
SMILESCCN(CC(=O)NC)CC(C#N)C(F)(F)F
InChIInChI=1S/C9H14F3N3O/c1-3-15(6-8(16)14-2)5-7(4-13)9(10,11)12/h7H,3,5-6H2,1-2H3,(H,14,16)
InChIKeyUIZMWIXMIVMSKZ-UHFFFAOYSA-N
MW237.22 g/mol
LogP0.76
Rot. Bonds5

About 2-[(2-cyano-3,3,3-trifluoropropyl)-ethylamino]-N-methylacetamide

2-[(2-cyano-3,3,3-trifluoropropyl)-ethylamino]-N-methylacetamide (PubChem CID 103367792) has the molecular formula C9H14F3N3O and a molecular weight of 237.22 g/mol. Its IUPAC name is 2-[(2-cyano-3,3,3-trifluoropropyl)-ethylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(2-cyano-3,3,3-trifluoropropyl)-ethylamino]-N-methylacetamide
PubChem CID103367792
Molecular FormulaC9H14F3N3O
Molecular Weight237.22 g/mol
Exact Mass237.11
IUPAC Name2-[(2-cyano-3,3,3-trifluoropropyl)-ethylamino]-N-methylacetamide
SMILESCCN(CC(=O)NC)CC(C#N)C(F)(F)F
InChIInChI=1S/C9H14F3N3O/c1-3-15(6-8(16)14-2)5-7(4-13)9(10,11)12/h7H,3,5-6H2,1-2H3,(H,14,16)
InChIKeyUIZMWIXMIVMSKZ-UHFFFAOYSA-N
XLogP0.76
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-cyano-3,3,3-trifluoropropyl)-ethylamino]-N-propan-2-ylacetamide
CID 103367802
2-[(2-cyano-3,3,3-trifluoropropyl)-ethylamino]acetic acid
CID 103371514
2-[(2-cyano-3,3,3-trifluoropropyl)-propylamino]acetic acid
CID 103371515
2-[(2-amino-2-oxoethyl)-(2-cyano-3,3,3-trifluoropropyl)amino]acetamide
CID 103367872
2-[(2-cyano-3,3,3-trifluoropropyl)-methylamino]acetic acid
CID 103371484
2-[[1-(diethylamino)propan-2-ylamino]methyl]-3,3,3-trifluoropropanenitrile
CID 103367206
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-methylacetamide
CID 79390515
2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-3,3,3-trifluoropropanenitrile
CID 103367790
2-[2-cyanopropyl(ethyl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 47069094
2-[cyanomethyl(propyl)amino]-N-methylacetamide
CID 61068678
2-[2-cyanopropyl(ethyl)amino]-N-pentan-3-ylacetamide
CID 54979648
methyl 3-[(2-cyano-3,3,3-trifluoropropyl)-methylamino]-2-methylpropanoate
CID 103372172

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyano-3,3,3-trifluoropropyl)-ethylamino]-N-methylacetamide?
The IUPAC name of 2-[(2-cyano-3,3,3-trifluoropropyl)-ethylamino]-N-methylacetamide (CID 103367792) is 2-[(2-cyano-3,3,3-trifluoropropyl)-ethylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(2-cyano-3,3,3-trifluoropropyl)-ethylamino]-N-methylacetamide?
The canonical SMILES for 2-[(2-cyano-3,3,3-trifluoropropyl)-ethylamino]-N-methylacetamide is CCN(CC(=O)NC)CC(C#N)C(F)(F)F.
What is the InChIKey of 2-[(2-cyano-3,3,3-trifluoropropyl)-ethylamino]-N-methylacetamide?
The InChIKey is UIZMWIXMIVMSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O/c1-3-15(6-8(16)14-2)5-7(4-13)9(10,11)12/h7H,3,5-6H2,1-2H3,(H,14,16).
What are the key properties of 2-[(2-cyano-3,3,3-trifluoropropyl)-ethylamino]-N-methylacetamide?
2-[(2-cyano-3,3,3-trifluoropropyl)-ethylamino]-N-methylacetamide has a molecular weight of 237.22 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyano-3,3,3-trifluoropropyl)-ethylamino]-N-methylacetamide is sourced from PubChem (CID 103367792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).