N-[2-(cyclopenten-1-yl)ethyl]-2,2,2-trifluoroacetamide

C9H12F3NO — CID 103843009

IUPACN-[2-(cyclopenten-1-yl)ethyl]-2,2,2-trifluoroacetamide
SMILESO=C(NCCC1=CCCC1)C(F)(F)F
InChIInChI=1S/C9H12F3NO/c10-9(11,12)8(14)13-6-5-7-3-1-2-4-7/h3H,1-2,4-6H2,(H,13,14)
InChIKeyKBDVOLMUDBEVMV-UHFFFAOYSA-N
MW207.19 g/mol
LogP2.17
Rot. Bonds3

About N-[2-(cyclopenten-1-yl)ethyl]-2,2,2-trifluoroacetamide

N-[2-(cyclopenten-1-yl)ethyl]-2,2,2-trifluoroacetamide (PubChem CID 103843009) has the molecular formula C9H12F3NO and a molecular weight of 207.19 g/mol. Its IUPAC name is N-[2-(cyclopenten-1-yl)ethyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-(cyclopenten-1-yl)ethyl]-2,2,2-trifluoroacetamide
PubChem CID103843009
Molecular FormulaC9H12F3NO
Molecular Weight207.19 g/mol
Exact Mass207.09
IUPAC NameN-[2-(cyclopenten-1-yl)ethyl]-2,2,2-trifluoroacetamide
SMILESO=C(NCCC1=CCCC1)C(F)(F)F
InChIInChI=1S/C9H12F3NO/c10-9(11,12)8(14)13-6-5-7-3-1-2-4-7/h3H,1-2,4-6H2,(H,13,14)
InChIKeyKBDVOLMUDBEVMV-UHFFFAOYSA-N
XLogP2.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 52.17
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-[2-(cyclopenten-1-yl)ethyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-2,2,2-trifluoroacetamide (CID 103843009) is N-[2-(cyclopenten-1-yl)ethyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-(cyclopenten-1-yl)ethyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-(cyclopenten-1-yl)ethyl]-2,2,2-trifluoroacetamide is O=C(NCCC1=CCCC1)C(F)(F)F.
What is the InChIKey of N-[2-(cyclopenten-1-yl)ethyl]-2,2,2-trifluoroacetamide?
The InChIKey is KBDVOLMUDBEVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO/c10-9(11,12)8(14)13-6-5-7-3-1-2-4-7/h3H,1-2,4-6H2,(H,13,14).
What are the key properties of N-[2-(cyclopenten-1-yl)ethyl]-2,2,2-trifluoroacetamide?
N-[2-(cyclopenten-1-yl)ethyl]-2,2,2-trifluoroacetamide has a molecular weight of 207.19 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopenten-1-yl)ethyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 103843009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).