1-cyano-2,2-difluorocyclopropane-1-carboxamide

C5H4F2N2O — CID 45084271

IUPAC1-cyano-2,2-difluorocyclopropane-1-carboxamide
SMILESN#CC1(C(N)=O)CC1(F)F
InChIInChI=1S/C5H4F2N2O/c6-5(7)1-4(5,2-8)3(9)10/h1H2,(H2,9,10)
InChIKeyAURFYZIGMTTYMM-UHFFFAOYSA-N
MW146.10 g/mol
LogP0.02
Rot. Bonds1

About 1-cyano-2,2-difluorocyclopropane-1-carboxamide

1-cyano-2,2-difluorocyclopropane-1-carboxamide (PubChem CID 45084271) has the molecular formula C5H4F2N2O and a molecular weight of 146.10 g/mol. Its IUPAC name is 1-cyano-2,2-difluorocyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-2,2-difluorocyclopropane-1-carboxamide
PubChem CID45084271
Molecular FormulaC5H4F2N2O
Molecular Weight146.10 g/mol
Exact Mass146.03
IUPAC Name1-cyano-2,2-difluorocyclopropane-1-carboxamide
SMILESN#CC1(C(N)=O)CC1(F)F
InChIInChI=1S/C5H4F2N2O/c6-5(7)1-4(5,2-8)3(9)10/h1H2,(H2,9,10)
InChIKeyAURFYZIGMTTYMM-UHFFFAOYSA-N
XLogP0.02
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.10
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(Trifluoromethyl)cyclopropane-1-carboxamide
CID 57475858
1-Cyanocyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 67278754
1-(Difluoromethyl)cyclopropane-1-carboxamide
CID 154491836
1-(Cyanomethyl)-2-fluorocyclopropane-1-carboxamide
CID 175284470
1-Cyanocyclopropane-1-carboxamide
CID 14200855
1-cyano-N-(2,2,2-trifluoroethoxy)cyclopropane-1-carboxamide
CID 107857039
2-(Cyanomethyl)-3,3,3-trifluoropropanamide
CID 154464043
1-Cyanocyclopropane-1-carboxamide;hydrochloride
CID 22329368
1-cyano-N-iodocyclopropane-1-carboxamide
CID 137389788
1-Cyanocyclopropane-1-carboxamide;molecular hydrogen
CID 165408277

Frequently Asked Questions

What is the IUPAC name of 1-cyano-2,2-difluorocyclopropane-1-carboxamide?
The IUPAC name of 1-cyano-2,2-difluorocyclopropane-1-carboxamide (CID 45084271) is 1-cyano-2,2-difluorocyclopropane-1-carboxamide.
What is the SMILES notation for 1-cyano-2,2-difluorocyclopropane-1-carboxamide?
The canonical SMILES for 1-cyano-2,2-difluorocyclopropane-1-carboxamide is N#CC1(C(N)=O)CC1(F)F.
What is the InChIKey of 1-cyano-2,2-difluorocyclopropane-1-carboxamide?
The InChIKey is AURFYZIGMTTYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F2N2O/c6-5(7)1-4(5,2-8)3(9)10/h1H2,(H2,9,10).
What are the key properties of 1-cyano-2,2-difluorocyclopropane-1-carboxamide?
1-cyano-2,2-difluorocyclopropane-1-carboxamide has a molecular weight of 146.10 g/mol, XLogP of 0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-2,2-difluorocyclopropane-1-carboxamide is sourced from PubChem (CID 45084271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).