N-(1-cyclopropylethyl)-N-ethyl-2,2,2-trifluoroacetamide

C9H14F3NO — CID 127002602

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

About N-(1-cyclopropylethyl)-N-ethyl-2,2,2-trifluoroacetamide

N-(1-cyclopropylethyl)-N-ethyl-2,2,2-trifluoroacetamide (PubChem CID 127002602) has the molecular formula C9H14F3NO and a molecular weight of 209.21 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-N-ethyl-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-N-ethyl-2,2,2-trifluoroacetamide
PubChem CID127002602
Molecular FormulaC9H14F3NO
Molecular Weight209.21 g/mol
Exact Mass209.10
IUPAC NameN-(1-cyclopropylethyl)-N-ethyl-2,2,2-trifluoroacetamide
SMILESCCN(C(=O)C(F)(F)F)C(C)C1CC1
InChIInChI=1S/C9H14F3NO/c1-3-13(6(2)7-4-5-7)8(14)9(10,11)12/h6-7H,3-5H2,1-2H3
InChIKeyNWCYUKBADCEMCO-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-ethyl-2,2,2-trifluoroacetamide?
The IUPAC name of N-(1-cyclopropylethyl)-N-ethyl-2,2,2-trifluoroacetamide (CID 127002602) is N-(1-cyclopropylethyl)-N-ethyl-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-N-ethyl-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(1-cyclopropylethyl)-N-ethyl-2,2,2-trifluoroacetamide is CCN(C(=O)C(F)(F)F)C(C)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-N-ethyl-2,2,2-trifluoroacetamide?
The InChIKey is NWCYUKBADCEMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO/c1-3-13(6(2)7-4-5-7)8(14)9(10,11)12/h6-7H,3-5H2,1-2H3.
What are the key properties of N-(1-cyclopropylethyl)-N-ethyl-2,2,2-trifluoroacetamide?
N-(1-cyclopropylethyl)-N-ethyl-2,2,2-trifluoroacetamide 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-ethyl-2,2,2-trifluoroacetamide is sourced from PubChem (CID 127002602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).