N-(cyclopent-2-en-1-ylmethyl)-2,2,2-trifluoroacetamide

C8H10F3NO — CID 13040864

IUPACN-(cyclopent-2-en-1-ylmethyl)-2,2,2-trifluoroacetamide
SMILESO=C(NCC1C=CCC1)C(F)(F)F
InChIInChI=1S/C8H10F3NO/c9-8(10,11)7(13)12-5-6-3-1-2-4-6/h1,3,6H,2,4-5H2,(H,12,13)
InChIKeyVWVZMEAWTMABGA-UHFFFAOYSA-N
MW193.17 g/mol
LogP1.63
Rot. Bonds2

About N-(cyclopent-2-en-1-ylmethyl)-2,2,2-trifluoroacetamide

N-(cyclopent-2-en-1-ylmethyl)-2,2,2-trifluoroacetamide (PubChem CID 13040864) has the molecular formula C8H10F3NO and a molecular weight of 193.17 g/mol. Its IUPAC name is N-(cyclopent-2-en-1-ylmethyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(cyclopent-2-en-1-ylmethyl)-2,2,2-trifluoroacetamide
PubChem CID13040864
Molecular FormulaC8H10F3NO
Molecular Weight193.17 g/mol
Exact Mass193.07
IUPAC NameN-(cyclopent-2-en-1-ylmethyl)-2,2,2-trifluoroacetamide
SMILESO=C(NCC1C=CCC1)C(F)(F)F
InChIInChI=1S/C8H10F3NO/c9-8(10,11)7(13)12-5-6-3-1-2-4-6/h1,3,6H,2,4-5H2,(H,12,13)
InChIKeyVWVZMEAWTMABGA-UHFFFAOYSA-N
XLogP1.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopent-2-en-1-ylmethyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(cyclopent-2-en-1-ylmethyl)-2,2,2-trifluoroacetamide (CID 13040864) is N-(cyclopent-2-en-1-ylmethyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(cyclopent-2-en-1-ylmethyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(cyclopent-2-en-1-ylmethyl)-2,2,2-trifluoroacetamide is O=C(NCC1C=CCC1)C(F)(F)F.
What is the InChIKey of N-(cyclopent-2-en-1-ylmethyl)-2,2,2-trifluoroacetamide?
The InChIKey is VWVZMEAWTMABGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO/c9-8(10,11)7(13)12-5-6-3-1-2-4-6/h1,3,6H,2,4-5H2,(H,12,13).
What are the key properties of N-(cyclopent-2-en-1-ylmethyl)-2,2,2-trifluoroacetamide?
N-(cyclopent-2-en-1-ylmethyl)-2,2,2-trifluoroacetamide has a molecular weight of 193.17 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopent-2-en-1-ylmethyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 13040864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).