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

C9H13F2NO — CID 107168155

IUPACN-[2-(cyclopenten-1-yl)ethyl]-2,2-difluoroacetamide
SMILESO=C(NCCC1=CCCC1)C(F)F
InChIInChI=1S/C9H13F2NO/c10-8(11)9(13)12-6-5-7-3-1-2-4-7/h3,8H,1-2,4-6H2,(H,12,13)
InChIKeyIUKNHYQQNVBTEN-UHFFFAOYSA-N
MW189.20 g/mol
LogP1.87
Rot. Bonds4

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

N-[2-(cyclopenten-1-yl)ethyl]-2,2-difluoroacetamide (PubChem CID 107168155) has the molecular formula C9H13F2NO and a molecular weight of 189.20 g/mol. Its IUPAC name is N-[2-(cyclopenten-1-yl)ethyl]-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-[2-(cyclopenten-1-yl)ethyl]-2,2-difluoroacetamide
PubChem CID107168155
Molecular FormulaC9H13F2NO
Molecular Weight189.20 g/mol
Exact Mass189.10
IUPAC NameN-[2-(cyclopenten-1-yl)ethyl]-2,2-difluoroacetamide
SMILESO=C(NCCC1=CCCC1)C(F)F
InChIInChI=1S/C9H13F2NO/c10-8(11)9(13)12-6-5-7-3-1-2-4-7/h3,8H,1-2,4-6H2,(H,12,13)
InChIKeyIUKNHYQQNVBTEN-UHFFFAOYSA-N
XLogP1.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.20
LogP ≤ 51.87
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-difluoroacetamide?
The IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-2,2-difluoroacetamide (CID 107168155) is N-[2-(cyclopenten-1-yl)ethyl]-2,2-difluoroacetamide.
What is the SMILES notation for N-[2-(cyclopenten-1-yl)ethyl]-2,2-difluoroacetamide?
The canonical SMILES for N-[2-(cyclopenten-1-yl)ethyl]-2,2-difluoroacetamide is O=C(NCCC1=CCCC1)C(F)F.
What is the InChIKey of N-[2-(cyclopenten-1-yl)ethyl]-2,2-difluoroacetamide?
The InChIKey is IUKNHYQQNVBTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2NO/c10-8(11)9(13)12-6-5-7-3-1-2-4-7/h3,8H,1-2,4-6H2,(H,12,13).
What are the key properties of N-[2-(cyclopenten-1-yl)ethyl]-2,2-difluoroacetamide?
N-[2-(cyclopenten-1-yl)ethyl]-2,2-difluoroacetamide has a molecular weight of 189.20 g/mol, XLogP of 1.87, 4 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-difluoroacetamide is sourced from PubChem (CID 107168155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).