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

C7H10F3NO — CID 62733552

IUPACN-(1-cyclopropylethyl)-2,2,2-trifluoroacetamide
SMILESCC(NC(=O)C(F)(F)F)C1CC1
InChIInChI=1S/C7H10F3NO/c1-4(5-2-3-5)11-6(12)7(8,9)10/h4-5H,2-3H2,1H3,(H,11,12)
InChIKeyZJPAKSBFGXPWOA-UHFFFAOYSA-N
MW181.16 g/mol
LogP1.46
Rot. Bonds2

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

N-(1-cyclopropylethyl)-2,2,2-trifluoroacetamide (PubChem CID 62733552) has the molecular formula C7H10F3NO and a molecular weight of 181.16 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-2,2,2-trifluoroacetamide
PubChem CID62733552
Molecular FormulaC7H10F3NO
Molecular Weight181.16 g/mol
Exact Mass181.07
IUPAC NameN-(1-cyclopropylethyl)-2,2,2-trifluoroacetamide
SMILESCC(NC(=O)C(F)(F)F)C1CC1
InChIInChI=1S/C7H10F3NO/c1-4(5-2-3-5)11-6(12)7(8,9)10/h4-5H,2-3H2,1H3,(H,11,12)
InChIKeyZJPAKSBFGXPWOA-UHFFFAOYSA-N
XLogP1.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.16
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(1-cyclopropylethyl)-2,2,2-trifluoroacetamide (CID 62733552) is N-(1-cyclopropylethyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(1-cyclopropylethyl)-2,2,2-trifluoroacetamide is CC(NC(=O)C(F)(F)F)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-2,2,2-trifluoroacetamide?
The InChIKey is ZJPAKSBFGXPWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO/c1-4(5-2-3-5)11-6(12)7(8,9)10/h4-5H,2-3H2,1H3,(H,11,12).
What are the key properties of N-(1-cyclopropylethyl)-2,2,2-trifluoroacetamide?
N-(1-cyclopropylethyl)-2,2,2-trifluoroacetamide has a molecular weight of 181.16 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 62733552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).