1,2-difluorocyclopropane-1-carboxamide

C4H5F2NO — CID 57475857

IUPAC1,2-difluorocyclopropane-1-carboxamide
SMILESNC(=O)C1(F)CC1F
InChIInChI=1S/C4H5F2NO/c5-2-1-4(2,6)3(7)8/h2H,1H2,(H2,7,8)
InChIKeyCRSIJGXGVSZCRF-UHFFFAOYSA-N
MW121.09 g/mol
LogP-0.08
Rot. Bonds1

About 1,2-difluorocyclopropane-1-carboxamide

1,2-difluorocyclopropane-1-carboxamide (PubChem CID 57475857) has the molecular formula C4H5F2NO and a molecular weight of 121.09 g/mol. Its IUPAC name is 1,2-difluorocyclopropane-1-carboxamide.

Molecular Properties

Compound Name1,2-difluorocyclopropane-1-carboxamide
PubChem CID57475857
Molecular FormulaC4H5F2NO
Molecular Weight121.09 g/mol
Exact Mass121.03
IUPAC Name1,2-difluorocyclopropane-1-carboxamide
SMILESNC(=O)C1(F)CC1F
InChIInChI=1S/C4H5F2NO/c5-2-1-4(2,6)3(7)8/h2H,1H2,(H2,7,8)
InChIKeyCRSIJGXGVSZCRF-UHFFFAOYSA-N
XLogP-0.08
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 ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2-difluorocyclopropane-1-carboxamide?
The IUPAC name of 1,2-difluorocyclopropane-1-carboxamide (CID 57475857) is 1,2-difluorocyclopropane-1-carboxamide.
What is the SMILES notation for 1,2-difluorocyclopropane-1-carboxamide?
The canonical SMILES for 1,2-difluorocyclopropane-1-carboxamide is NC(=O)C1(F)CC1F.
What is the InChIKey of 1,2-difluorocyclopropane-1-carboxamide?
The InChIKey is CRSIJGXGVSZCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F2NO/c5-2-1-4(2,6)3(7)8/h2H,1H2,(H2,7,8).
What are the key properties of 1,2-difluorocyclopropane-1-carboxamide?
1,2-difluorocyclopropane-1-carboxamide has a molecular weight of 121.09 g/mol, XLogP of -0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluorocyclopropane-1-carboxamide is sourced from PubChem (CID 57475857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).