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

C9H12F2N2O2 — CID 104857177

IUPAC1-cyano-N-(2,2-difluoro-3-hydroxypropyl)cyclobutane-1-carboxamide
SMILESN#CC1(C(=O)NCC(F)(F)CO)CCC1
InChIInChI=1S/C9H12F2N2O2/c10-9(11,6-14)5-13-7(15)8(4-12)2-1-3-8/h14H,1-3,5-6H2,(H,13,15)
InChIKeyMLBMPVGICJFSBG-UHFFFAOYSA-N
MW218.20 g/mol
LogP0.42
Rot. Bonds4

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

1-cyano-N-(2,2-difluoro-3-hydroxypropyl)cyclobutane-1-carboxamide (PubChem CID 104857177) has the molecular formula C9H12F2N2O2 and a molecular weight of 218.20 g/mol. Its IUPAC name is 1-cyano-N-(2,2-difluoro-3-hydroxypropyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(2,2-difluoro-3-hydroxypropyl)cyclobutane-1-carboxamide
PubChem CID104857177
Molecular FormulaC9H12F2N2O2
Molecular Weight218.20 g/mol
Exact Mass218.09
IUPAC Name1-cyano-N-(2,2-difluoro-3-hydroxypropyl)cyclobutane-1-carboxamide
SMILESN#CC1(C(=O)NCC(F)(F)CO)CCC1
InChIInChI=1S/C9H12F2N2O2/c10-9(11,6-14)5-13-7(15)8(4-12)2-1-3-8/h14H,1-3,5-6H2,(H,13,15)
InChIKeyMLBMPVGICJFSBG-UHFFFAOYSA-N
XLogP0.42
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.20
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyano-N-(2,2-dimethylpropyl)cyclopropane-1-carboxamide
CID 59860392
1-cyano-N-(2-methoxy-2-methylpropyl)cyclobutane-1-carboxamide
CID 115661132
1-cyano-N-(2,2,3,3-tetramethylbutyl)cyclopropane-1-carboxamide
CID 115181768
1-cyano-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]cycloheptane-1-carboxamide
CID 107853097
1-cyano-N-prop-2-ynylcyclobutane-1-carboxamide
CID 78994562
1-cyano-N-[2-(dimethylamino)-2-methylpropyl]cyclopropane-1-carboxamide
CID 80598633
1-cyano-N-(2-cyclobutyl-2-methylpropyl)cyclopropane-1-carboxamide
CID 115181795
1-cyano-N-(2-ethyl-2-methylsulfanylbutyl)cyclopentane-1-carboxamide
CID 103709316
1-cyano-N-(2-methyl-2-phenylpropyl)cyclobutane-1-carboxamide
CID 115183413
1-cyano-N-[2-(trifluoromethylsulfanyl)ethyl]cycloheptane-1-carboxamide
CID 106428533
1-cyano-N-[3-(dimethylamino)-2,2-dimethylpropyl]cyclohexane-1-carboxamide
CID 61459075
1-cyano-N-[2-(methylsulfamoyl)ethyl]cyclobutane-1-carboxamide
CID 102685121

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(2,2-difluoro-3-hydroxypropyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-N-(2,2-difluoro-3-hydroxypropyl)cyclobutane-1-carboxamide (CID 104857177) is 1-cyano-N-(2,2-difluoro-3-hydroxypropyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(2,2-difluoro-3-hydroxypropyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(2,2-difluoro-3-hydroxypropyl)cyclobutane-1-carboxamide is N#CC1(C(=O)NCC(F)(F)CO)CCC1.
What is the InChIKey of 1-cyano-N-(2,2-difluoro-3-hydroxypropyl)cyclobutane-1-carboxamide?
The InChIKey is MLBMPVGICJFSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2O2/c10-9(11,6-14)5-13-7(15)8(4-12)2-1-3-8/h14H,1-3,5-6H2,(H,13,15).
What are the key properties of 1-cyano-N-(2,2-difluoro-3-hydroxypropyl)cyclobutane-1-carboxamide?
1-cyano-N-(2,2-difluoro-3-hydroxypropyl)cyclobutane-1-carboxamide has a molecular weight of 218.20 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(2,2-difluoro-3-hydroxypropyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 104857177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).