2,3-difluorocyclopropane-1-carboxamide

C4H5F2NO — CID 67044541

IUPAC2,3-difluorocyclopropane-1-carboxamide
SMILESNC(=O)C1C(F)C1F
InChIInChI=1S/C4H5F2NO/c5-2-1(3(2)6)4(7)8/h1-3H,(H2,7,8)
InChIKeyOXULYXKXNKYQJM-UHFFFAOYSA-N
MW121.09 g/mol
LogP-0.22
Rot. Bonds1

About 2,3-difluorocyclopropane-1-carboxamide

2,3-difluorocyclopropane-1-carboxamide (PubChem CID 67044541) has the molecular formula C4H5F2NO and a molecular weight of 121.09 g/mol. Its IUPAC name is 2,3-difluorocyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,3-difluorocyclopropane-1-carboxamide
PubChem CID67044541
Molecular FormulaC4H5F2NO
Molecular Weight121.09 g/mol
Exact Mass121.03
IUPAC Name2,3-difluorocyclopropane-1-carboxamide
SMILESNC(=O)C1C(F)C1F
InChIInChI=1S/C4H5F2NO/c5-2-1(3(2)6)4(7)8/h1-3H,(H2,7,8)
InChIKeyOXULYXKXNKYQJM-UHFFFAOYSA-N
XLogP-0.22
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 ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-difluorocyclopropane-1-carboxamide?
The IUPAC name of 2,3-difluorocyclopropane-1-carboxamide (CID 67044541) is 2,3-difluorocyclopropane-1-carboxamide.
What is the SMILES notation for 2,3-difluorocyclopropane-1-carboxamide?
The canonical SMILES for 2,3-difluorocyclopropane-1-carboxamide is NC(=O)C1C(F)C1F.
What is the InChIKey of 2,3-difluorocyclopropane-1-carboxamide?
The InChIKey is OXULYXKXNKYQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F2NO/c5-2-1(3(2)6)4(7)8/h1-3H,(H2,7,8).
What are the key properties of 2,3-difluorocyclopropane-1-carboxamide?
2,3-difluorocyclopropane-1-carboxamide has a molecular weight of 121.09 g/mol, XLogP of -0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluorocyclopropane-1-carboxamide is sourced from PubChem (CID 67044541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).