1-(difluoromethyl)cyclopropane-1-carboxamide

C5H7F2NO — CID 154491836

IUPAC1-(difluoromethyl)cyclopropane-1-carboxamide
SMILESNC(=O)C1(C(F)F)CC1
InChIInChI=1S/C5H7F2NO/c6-3(7)5(1-2-5)4(8)9/h3H,1-2H2,(H2,8,9)
InChIKeyCLBIUGMAVCSGKS-UHFFFAOYSA-N
MW135.11 g/mol
LogP0.52
Rot. Bonds2

About 1-(difluoromethyl)cyclopropane-1-carboxamide

1-(difluoromethyl)cyclopropane-1-carboxamide (PubChem CID 154491836) has the molecular formula C5H7F2NO and a molecular weight of 135.11 g/mol. Its IUPAC name is 1-(difluoromethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(difluoromethyl)cyclopropane-1-carboxamide
PubChem CID154491836
Molecular FormulaC5H7F2NO
Molecular Weight135.11 g/mol
Exact Mass135.05
IUPAC Name1-(difluoromethyl)cyclopropane-1-carboxamide
SMILESNC(=O)C1(C(F)F)CC1
InChIInChI=1S/C5H7F2NO/c6-3(7)5(1-2-5)4(8)9/h3H,1-2H2,(H2,8,9)
InChIKeyCLBIUGMAVCSGKS-UHFFFAOYSA-N
XLogP0.52
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.11
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(difluoromethyl)cyclopropane-1-carboxamide (CID 154491836) is 1-(difluoromethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(difluoromethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(difluoromethyl)cyclopropane-1-carboxamide is NC(=O)C1(C(F)F)CC1.
What is the InChIKey of 1-(difluoromethyl)cyclopropane-1-carboxamide?
The InChIKey is CLBIUGMAVCSGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2NO/c6-3(7)5(1-2-5)4(8)9/h3H,1-2H2,(H2,8,9).
What are the key properties of 1-(difluoromethyl)cyclopropane-1-carboxamide?
1-(difluoromethyl)cyclopropane-1-carboxamide has a molecular weight of 135.11 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 154491836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).