1-cyano-N-(3,3-difluoro-2-hydroxypropyl)-3-methylcyclobutane-1-carboxamide

C10H14F2N2O2 — CID 103770292

IUPAC1-cyano-N-(3,3-difluoro-2-hydroxypropyl)-3-methylcyclobutane-1-carboxamide
SMILESCC1CC(C#N)(C(=O)NCC(O)C(F)F)C1
InChIInChI=1S/C10H14F2N2O2/c1-6-2-10(3-6,5-13)9(16)14-4-7(15)8(11)12/h6-8,15H,2-4H2,1H3,(H,14,16)
InChIKeyLFOBFFVALGGLBI-UHFFFAOYSA-N
MW232.23 g/mol
LogP0.67
Rot. Bonds4

About 1-cyano-N-(3,3-difluoro-2-hydroxypropyl)-3-methylcyclobutane-1-carboxamide

1-cyano-N-(3,3-difluoro-2-hydroxypropyl)-3-methylcyclobutane-1-carboxamide (PubChem CID 103770292) has the molecular formula C10H14F2N2O2 and a molecular weight of 232.23 g/mol. Its IUPAC name is 1-cyano-N-(3,3-difluoro-2-hydroxypropyl)-3-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(3,3-difluoro-2-hydroxypropyl)-3-methylcyclobutane-1-carboxamide
PubChem CID103770292
Molecular FormulaC10H14F2N2O2
Molecular Weight232.23 g/mol
Exact Mass232.10
IUPAC Name1-cyano-N-(3,3-difluoro-2-hydroxypropyl)-3-methylcyclobutane-1-carboxamide
SMILESCC1CC(C#N)(C(=O)NCC(O)C(F)F)C1
InChIInChI=1S/C10H14F2N2O2/c1-6-2-10(3-6,5-13)9(16)14-4-7(15)8(11)12/h6-8,15H,2-4H2,1H3,(H,14,16)
InChIKeyLFOBFFVALGGLBI-UHFFFAOYSA-N
XLogP0.67
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(3,3-difluoro-2-hydroxypropyl)-3-methylcyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-N-(3,3-difluoro-2-hydroxypropyl)-3-methylcyclobutane-1-carboxamide (CID 103770292) is 1-cyano-N-(3,3-difluoro-2-hydroxypropyl)-3-methylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(3,3-difluoro-2-hydroxypropyl)-3-methylcyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(3,3-difluoro-2-hydroxypropyl)-3-methylcyclobutane-1-carboxamide is CC1CC(C#N)(C(=O)NCC(O)C(F)F)C1.
What is the InChIKey of 1-cyano-N-(3,3-difluoro-2-hydroxypropyl)-3-methylcyclobutane-1-carboxamide?
The InChIKey is LFOBFFVALGGLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O2/c1-6-2-10(3-6,5-13)9(16)14-4-7(15)8(11)12/h6-8,15H,2-4H2,1H3,(H,14,16).
What are the key properties of 1-cyano-N-(3,3-difluoro-2-hydroxypropyl)-3-methylcyclobutane-1-carboxamide?
1-cyano-N-(3,3-difluoro-2-hydroxypropyl)-3-methylcyclobutane-1-carboxamide has a molecular weight of 232.23 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(3,3-difluoro-2-hydroxypropyl)-3-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 103770292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).