N-[(E)-but-2-enyl]-2,2-difluorocyclopropane-1-carboxamide

C8H11F2NO — CID 178010796

IUPACN-[(E)-but-2-enyl]-2,2-difluorocyclopropane-1-carboxamide
SMILESC/C=C/CNC(=O)C1CC1(F)F
InChIInChI=1S/C8H11F2NO/c1-2-3-4-11-7(12)6-5-8(6,9)10/h2-3,6H,4-5H2,1H3,(H,11,12)/b3-2+
InChIKeyONPLLVGDFXWBGW-NSCUHMNNSA-N
MW175.18 g/mol
LogP1.33
Rot. Bonds3

About N-[(E)-but-2-enyl]-2,2-difluorocyclopropane-1-carboxamide

N-[(E)-but-2-enyl]-2,2-difluorocyclopropane-1-carboxamide (PubChem CID 178010796) has the molecular formula C8H11F2NO and a molecular weight of 175.18 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]-2,2-difluorocyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]-2,2-difluorocyclopropane-1-carboxamide
PubChem CID178010796
Molecular FormulaC8H11F2NO
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC NameN-[(E)-but-2-enyl]-2,2-difluorocyclopropane-1-carboxamide
SMILESC/C=C/CNC(=O)C1CC1(F)F
InChIInChI=1S/C8H11F2NO/c1-2-3-4-11-7(12)6-5-8(6,9)10/h2-3,6H,4-5H2,1H3,(H,11,12)/b3-2+
InChIKeyONPLLVGDFXWBGW-NSCUHMNNSA-N
XLogP1.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 51.33
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-[(E)-but-2-enyl]-2,2-difluorocyclopropane-1-carboxamide?
The IUPAC name of N-[(E)-but-2-enyl]-2,2-difluorocyclopropane-1-carboxamide (CID 178010796) is N-[(E)-but-2-enyl]-2,2-difluorocyclopropane-1-carboxamide.
What is the SMILES notation for N-[(E)-but-2-enyl]-2,2-difluorocyclopropane-1-carboxamide?
The canonical SMILES for N-[(E)-but-2-enyl]-2,2-difluorocyclopropane-1-carboxamide is C/C=C/CNC(=O)C1CC1(F)F.
What is the InChIKey of N-[(E)-but-2-enyl]-2,2-difluorocyclopropane-1-carboxamide?
The InChIKey is ONPLLVGDFXWBGW-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H11F2NO/c1-2-3-4-11-7(12)6-5-8(6,9)10/h2-3,6H,4-5H2,1H3,(H,11,12)/b3-2+.
What are the key properties of N-[(E)-but-2-enyl]-2,2-difluorocyclopropane-1-carboxamide?
N-[(E)-but-2-enyl]-2,2-difluorocyclopropane-1-carboxamide has a molecular weight of 175.18 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-enyl]-2,2-difluorocyclopropane-1-carboxamide is sourced from PubChem (CID 178010796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).