1-(cyanomethyl)-2-fluorocyclopropane-1-carboxamide

C6H7FN2O — CID 175284470

IUPAC1-(cyanomethyl)-2-fluorocyclopropane-1-carboxamide
SMILESN#CCC1(C(N)=O)CC1F
InChIInChI=1S/C6H7FN2O/c7-4-3-6(4,1-2-8)5(9)10/h4H,1,3H2,(H2,9,10)
InChIKeyQGYDWYHVVUOTBF-UHFFFAOYSA-N
MW142.13 g/mol
LogP0.11
Rot. Bonds2

About 1-(cyanomethyl)-2-fluorocyclopropane-1-carboxamide

1-(cyanomethyl)-2-fluorocyclopropane-1-carboxamide (PubChem CID 175284470) has the molecular formula C6H7FN2O and a molecular weight of 142.13 g/mol. Its IUPAC name is 1-(cyanomethyl)-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(cyanomethyl)-2-fluorocyclopropane-1-carboxamide
PubChem CID175284470
Molecular FormulaC6H7FN2O
Molecular Weight142.13 g/mol
Exact Mass142.05
IUPAC Name1-(cyanomethyl)-2-fluorocyclopropane-1-carboxamide
SMILESN#CCC1(C(N)=O)CC1F
InChIInChI=1S/C6H7FN2O/c7-4-3-6(4,1-2-8)5(9)10/h4H,1,3H2,(H2,9,10)
InChIKeyQGYDWYHVVUOTBF-UHFFFAOYSA-N
XLogP0.11
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.13
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyanomethyl)-2-fluorocyclopropane-1-carboxamide?
The IUPAC name of 1-(cyanomethyl)-2-fluorocyclopropane-1-carboxamide (CID 175284470) is 1-(cyanomethyl)-2-fluorocyclopropane-1-carboxamide.
What is the SMILES notation for 1-(cyanomethyl)-2-fluorocyclopropane-1-carboxamide?
The canonical SMILES for 1-(cyanomethyl)-2-fluorocyclopropane-1-carboxamide is N#CCC1(C(N)=O)CC1F.
What is the InChIKey of 1-(cyanomethyl)-2-fluorocyclopropane-1-carboxamide?
The InChIKey is QGYDWYHVVUOTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2O/c7-4-3-6(4,1-2-8)5(9)10/h4H,1,3H2,(H2,9,10).
What are the key properties of 1-(cyanomethyl)-2-fluorocyclopropane-1-carboxamide?
1-(cyanomethyl)-2-fluorocyclopropane-1-carboxamide has a molecular weight of 142.13 g/mol, XLogP of 0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyanomethyl)-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 175284470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).