2,2-difluorocyclopropane-1-carboxamide

C4H5F2NO — CID 55284166

IUPAC2,2-difluorocyclopropane-1-carboxamide
SMILESNC(=O)C1CC1(F)F
InChIInChI=1S/C4H5F2NO/c5-4(6)1-2(4)3(7)8/h2H,1H2,(H2,7,8)
InChIKeyVEQGOZCVNSMHRR-UHFFFAOYSA-N
MW121.09 g/mol
LogP0.13
Rot. Bonds1

About 2,2-difluorocyclopropane-1-carboxamide

2,2-difluorocyclopropane-1-carboxamide (PubChem CID 55284166) has the molecular formula C4H5F2NO and a molecular weight of 121.09 g/mol. Its IUPAC name is 2,2-difluorocyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-difluorocyclopropane-1-carboxamide
PubChem CID55284166
Molecular FormulaC4H5F2NO
Molecular Weight121.09 g/mol
Exact Mass121.03
IUPAC Name2,2-difluorocyclopropane-1-carboxamide
SMILESNC(=O)C1CC1(F)F
InChIInChI=1S/C4H5F2NO/c5-4(6)1-2(4)3(7)8/h2H,1H2,(H2,7,8)
InChIKeyVEQGOZCVNSMHRR-UHFFFAOYSA-N
XLogP0.13
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.09
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluorocyclopropane-1-carboxamide?
The IUPAC name of 2,2-difluorocyclopropane-1-carboxamide (CID 55284166) is 2,2-difluorocyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-difluorocyclopropane-1-carboxamide?
The canonical SMILES for 2,2-difluorocyclopropane-1-carboxamide is NC(=O)C1CC1(F)F.
What is the InChIKey of 2,2-difluorocyclopropane-1-carboxamide?
The InChIKey is VEQGOZCVNSMHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F2NO/c5-4(6)1-2(4)3(7)8/h2H,1H2,(H2,7,8).
What are the key properties of 2,2-difluorocyclopropane-1-carboxamide?
2,2-difluorocyclopropane-1-carboxamide has a molecular weight of 121.09 g/mol, XLogP of 0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluorocyclopropane-1-carboxamide is sourced from PubChem (CID 55284166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).