N-(1-cyclopropyl-2,2,2-trifluoroethyl)acetamide;ethane

C9H16F3NO — CID 156643967

IUPACN-(1-cyclopropyl-2,2,2-trifluoroethyl)acetamide;ethane
SMILESCC.CC(=O)NC(C1CC1)C(F)(F)F
InChIInChI=1S/C7H10F3NO.C2H6/c1-4(12)11-6(5-2-3-5)7(8,9)10;1-2/h5-6H,2-3H2,1H3,(H,11,12);1-2H3
InChIKeyZKAKQJBTJXRBGX-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.49
Rot. Bonds2

About N-(1-cyclopropyl-2,2,2-trifluoroethyl)acetamide;ethane

N-(1-cyclopropyl-2,2,2-trifluoroethyl)acetamide;ethane (PubChem CID 156643967) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is N-(1-cyclopropyl-2,2,2-trifluoroethyl)acetamide;ethane.

Molecular Properties

Compound NameN-(1-cyclopropyl-2,2,2-trifluoroethyl)acetamide;ethane
PubChem CID156643967
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC NameN-(1-cyclopropyl-2,2,2-trifluoroethyl)acetamide;ethane
SMILESCC.CC(=O)NC(C1CC1)C(F)(F)F
InChIInChI=1S/C7H10F3NO.C2H6/c1-4(12)11-6(5-2-3-5)7(8,9)10;1-2/h5-6H,2-3H2,1H3,(H,11,12);1-2H3
InChIKeyZKAKQJBTJXRBGX-UHFFFAOYSA-N
XLogP2.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropyl-2,2,2-trifluoroethyl)acetamide;ethane?
The IUPAC name of N-(1-cyclopropyl-2,2,2-trifluoroethyl)acetamide;ethane (CID 156643967) is N-(1-cyclopropyl-2,2,2-trifluoroethyl)acetamide;ethane.
What is the SMILES notation for N-(1-cyclopropyl-2,2,2-trifluoroethyl)acetamide;ethane?
The canonical SMILES for N-(1-cyclopropyl-2,2,2-trifluoroethyl)acetamide;ethane is CC.CC(=O)NC(C1CC1)C(F)(F)F.
What is the InChIKey of N-(1-cyclopropyl-2,2,2-trifluoroethyl)acetamide;ethane?
The InChIKey is ZKAKQJBTJXRBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO.C2H6/c1-4(12)11-6(5-2-3-5)7(8,9)10;1-2/h5-6H,2-3H2,1H3,(H,11,12);1-2H3.
What are the key properties of N-(1-cyclopropyl-2,2,2-trifluoroethyl)acetamide;ethane?
N-(1-cyclopropyl-2,2,2-trifluoroethyl)acetamide;ethane has a molecular weight of 211.23 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropyl-2,2,2-trifluoroethyl)acetamide;ethane is sourced from PubChem (CID 156643967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).