N-[1-(difluoromethoxymethyl)cyclobutyl]formamide

C7H11F2NO2 — CID 144845240

IUPACN-[1-(difluoromethoxymethyl)cyclobutyl]formamide
SMILESO=CNC1(COC(F)F)CCC1
InChIInChI=1S/C7H11F2NO2/c8-6(9)12-4-7(10-5-11)2-1-3-7/h5-6H,1-4H2,(H,10,11)
InChIKeyQXWJFIJCUTVSAX-UHFFFAOYSA-N
MW179.17 g/mol
LogP0.89
Rot. Bonds5

About N-[1-(difluoromethoxymethyl)cyclobutyl]formamide

N-[1-(difluoromethoxymethyl)cyclobutyl]formamide (PubChem CID 144845240) has the molecular formula C7H11F2NO2 and a molecular weight of 179.17 g/mol. Its IUPAC name is N-[1-(difluoromethoxymethyl)cyclobutyl]formamide.

Molecular Properties

Compound NameN-[1-(difluoromethoxymethyl)cyclobutyl]formamide
PubChem CID144845240
Molecular FormulaC7H11F2NO2
Molecular Weight179.17 g/mol
Exact Mass179.08
IUPAC NameN-[1-(difluoromethoxymethyl)cyclobutyl]formamide
SMILESO=CNC1(COC(F)F)CCC1
InChIInChI=1S/C7H11F2NO2/c8-6(9)12-4-7(10-5-11)2-1-3-7/h5-6H,1-4H2,(H,10,11)
InChIKeyQXWJFIJCUTVSAX-UHFFFAOYSA-N
XLogP0.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(1-propylcyclobutyl)formamide
CID 174957618
2-(1-formamidocyclopentyl)acetic acid
CID 64672964
[1-(difluoromethoxymethyl)cyclopentyl]methanamine
CID 130194759
1-(difluoromethoxymethyl)-3-propan-2-ylbicyclo[1.1.1]pentane
CID 167326750
N-(1-propan-2-ylcyclohexyl)formamide
CID 54536846
N-[1-[[cyclopropyl(propan-2-yl)sulfamoyl]methyl]cyclohexyl]formamide
CID 89233908
N-[1-(piperazin-1-ylmethyl)cycloheptyl]formamide
CID 82511228
N-[1-[(3,4-dimethoxyphenyl)methyl]cyclobutyl]formamide
CID 135313535
N-(1-methylcyclobutyl)formamide
CID 54210121
1-(difluoromethoxymethyl)-4-ethylbicyclo[2.2.1]heptane
CID 175331863
tert-butyl N-[1-(difluoromethoxymethyl)cyclopropyl]-N-methylcarbamate
CID 142576914
1-(difluoromethoxy)-2-fluoroethane
CID 87932237

Frequently Asked Questions

What is the IUPAC name of N-[1-(difluoromethoxymethyl)cyclobutyl]formamide?
The IUPAC name of N-[1-(difluoromethoxymethyl)cyclobutyl]formamide (CID 144845240) is N-[1-(difluoromethoxymethyl)cyclobutyl]formamide.
What is the SMILES notation for N-[1-(difluoromethoxymethyl)cyclobutyl]formamide?
The canonical SMILES for N-[1-(difluoromethoxymethyl)cyclobutyl]formamide is O=CNC1(COC(F)F)CCC1.
What is the InChIKey of N-[1-(difluoromethoxymethyl)cyclobutyl]formamide?
The InChIKey is QXWJFIJCUTVSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO2/c8-6(9)12-4-7(10-5-11)2-1-3-7/h5-6H,1-4H2,(H,10,11).
What are the key properties of N-[1-(difluoromethoxymethyl)cyclobutyl]formamide?
N-[1-(difluoromethoxymethyl)cyclobutyl]formamide has a molecular weight of 179.17 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(difluoromethoxymethyl)cyclobutyl]formamide is sourced from PubChem (CID 144845240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).