1-cyano-N-(2-fluoroethyl)-3-methylcyclobutane-1-carboxamide

C9H13FN2O — CID 130478174

IUPAC1-cyano-N-(2-fluoroethyl)-3-methylcyclobutane-1-carboxamide
SMILESCC1CC(C#N)(C(=O)NCCF)C1
InChIInChI=1S/C9H13FN2O/c1-7-4-9(5-7,6-11)8(13)12-3-2-10/h7H,2-5H2,1H3,(H,12,13)
InChIKeyIANZCAMNFOCUMX-UHFFFAOYSA-N
MW184.21 g/mol
LogP1.01
Rot. Bonds3

About 1-cyano-N-(2-fluoroethyl)-3-methylcyclobutane-1-carboxamide

1-cyano-N-(2-fluoroethyl)-3-methylcyclobutane-1-carboxamide (PubChem CID 130478174) has the molecular formula C9H13FN2O and a molecular weight of 184.21 g/mol. Its IUPAC name is 1-cyano-N-(2-fluoroethyl)-3-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(2-fluoroethyl)-3-methylcyclobutane-1-carboxamide
PubChem CID130478174
Molecular FormulaC9H13FN2O
Molecular Weight184.21 g/mol
Exact Mass184.10
IUPAC Name1-cyano-N-(2-fluoroethyl)-3-methylcyclobutane-1-carboxamide
SMILESCC1CC(C#N)(C(=O)NCCF)C1
InChIInChI=1S/C9H13FN2O/c1-7-4-9(5-7,6-11)8(13)12-3-2-10/h7H,2-5H2,1H3,(H,12,13)
InChIKeyIANZCAMNFOCUMX-UHFFFAOYSA-N
XLogP1.01
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(2-fluoroethyl)-3-methylcyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-N-(2-fluoroethyl)-3-methylcyclobutane-1-carboxamide (CID 130478174) is 1-cyano-N-(2-fluoroethyl)-3-methylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(2-fluoroethyl)-3-methylcyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(2-fluoroethyl)-3-methylcyclobutane-1-carboxamide is CC1CC(C#N)(C(=O)NCCF)C1.
What is the InChIKey of 1-cyano-N-(2-fluoroethyl)-3-methylcyclobutane-1-carboxamide?
The InChIKey is IANZCAMNFOCUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O/c1-7-4-9(5-7,6-11)8(13)12-3-2-10/h7H,2-5H2,1H3,(H,12,13).
What are the key properties of 1-cyano-N-(2-fluoroethyl)-3-methylcyclobutane-1-carboxamide?
1-cyano-N-(2-fluoroethyl)-3-methylcyclobutane-1-carboxamide has a molecular weight of 184.21 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(2-fluoroethyl)-3-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 130478174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).