2-(methylamino)-N-[1-(trifluoromethyl)cyclopropyl]acetamide

C7H11F3N2O — CID 106213434

IUPAC2-(methylamino)-N-[1-(trifluoromethyl)cyclopropyl]acetamide
SMILESCNCC(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C7H11F3N2O/c1-11-4-5(13)12-6(2-3-6)7(8,9)10/h11H,2-4H2,1H3,(H,12,13)
InChIKeyKEMMRSOQXUVXAF-UHFFFAOYSA-N
MW196.17 g/mol
LogP0.42
Rot. Bonds3

About 2-(methylamino)-N-[1-(trifluoromethyl)cyclopropyl]acetamide

2-(methylamino)-N-[1-(trifluoromethyl)cyclopropyl]acetamide (PubChem CID 106213434) has the molecular formula C7H11F3N2O and a molecular weight of 196.17 g/mol. Its IUPAC name is 2-(methylamino)-N-[1-(trifluoromethyl)cyclopropyl]acetamide.

Molecular Properties

Compound Name2-(methylamino)-N-[1-(trifluoromethyl)cyclopropyl]acetamide
PubChem CID106213434
Molecular FormulaC7H11F3N2O
Molecular Weight196.17 g/mol
Exact Mass196.08
IUPAC Name2-(methylamino)-N-[1-(trifluoromethyl)cyclopropyl]acetamide
SMILESCNCC(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C7H11F3N2O/c1-11-4-5(13)12-6(2-3-6)7(8,9)10/h11H,2-4H2,1H3,(H,12,13)
InChIKeyKEMMRSOQXUVXAF-UHFFFAOYSA-N
XLogP0.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[1-(trifluoromethyl)cyclopropyl]acetamide?
The IUPAC name of 2-(methylamino)-N-[1-(trifluoromethyl)cyclopropyl]acetamide (CID 106213434) is 2-(methylamino)-N-[1-(trifluoromethyl)cyclopropyl]acetamide.
What is the SMILES notation for 2-(methylamino)-N-[1-(trifluoromethyl)cyclopropyl]acetamide?
The canonical SMILES for 2-(methylamino)-N-[1-(trifluoromethyl)cyclopropyl]acetamide is CNCC(=O)NC1(C(F)(F)F)CC1.
What is the InChIKey of 2-(methylamino)-N-[1-(trifluoromethyl)cyclopropyl]acetamide?
The InChIKey is KEMMRSOQXUVXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O/c1-11-4-5(13)12-6(2-3-6)7(8,9)10/h11H,2-4H2,1H3,(H,12,13).
What are the key properties of 2-(methylamino)-N-[1-(trifluoromethyl)cyclopropyl]acetamide?
2-(methylamino)-N-[1-(trifluoromethyl)cyclopropyl]acetamide has a molecular weight of 196.17 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[1-(trifluoromethyl)cyclopropyl]acetamide is sourced from PubChem (CID 106213434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).