N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)acetamide

C9H14F3NO — CID 60717509

IUPACN-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(=O)N(CC(F)(F)F)C(C)C1CC1
InChIInChI=1S/C9H14F3NO/c1-6(8-3-4-8)13(7(2)14)5-9(10,11)12/h6,8H,3-5H2,1-2H3
InChIKeyBXVMZKRBXLZNNK-UHFFFAOYSA-N
MW209.21 g/mol
LogP2.20
Rot. Bonds3

About N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)acetamide

N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 60717509) has the molecular formula C9H14F3NO and a molecular weight of 209.21 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID60717509
Molecular FormulaC9H14F3NO
Molecular Weight209.21 g/mol
Exact Mass209.10
IUPAC NameN-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(=O)N(CC(F)(F)F)C(C)C1CC1
InChIInChI=1S/C9H14F3NO/c1-6(8-3-4-8)13(7(2)14)5-9(10,11)12/h6,8H,3-5H2,1-2H3
InChIKeyBXVMZKRBXLZNNK-UHFFFAOYSA-N
XLogP2.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 60717509) is N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)acetamide is CC(=O)N(CC(F)(F)F)C(C)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is BXVMZKRBXLZNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO/c1-6(8-3-4-8)13(7(2)14)5-9(10,11)12/h6,8H,3-5H2,1-2H3.
What are the key properties of N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)acetamide?
N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 209.21 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 60717509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).