N-[3-(difluoromethoxy)propyl]formamide

C5H9F2NO2 — CID 130901466

IUPACN-[3-(difluoromethoxy)propyl]formamide
SMILESO=CNCCCOC(F)F
InChIInChI=1S/C5H9F2NO2/c6-5(7)10-3-1-2-8-4-9/h4-5H,1-3H2,(H,8,9)
InChIKeyMNZKKNZAXFLBNZ-UHFFFAOYSA-N
MW153.13 g/mol
LogP0.36
Rot. Bonds6

About N-[3-(difluoromethoxy)propyl]formamide

N-[3-(difluoromethoxy)propyl]formamide (PubChem CID 130901466) has the molecular formula C5H9F2NO2 and a molecular weight of 153.13 g/mol. Its IUPAC name is N-[3-(difluoromethoxy)propyl]formamide.

Molecular Properties

Compound NameN-[3-(difluoromethoxy)propyl]formamide
PubChem CID130901466
Molecular FormulaC5H9F2NO2
Molecular Weight153.13 g/mol
Exact Mass153.06
IUPAC NameN-[3-(difluoromethoxy)propyl]formamide
SMILESO=CNCCCOC(F)F
InChIInChI=1S/C5H9F2NO2/c6-5(7)10-3-1-2-8-4-9/h4-5H,1-3H2,(H,8,9)
InChIKeyMNZKKNZAXFLBNZ-UHFFFAOYSA-N
XLogP0.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.13
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[3-(difluoromethoxy)propyl]formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-ethenoxypropyl)formamide
CID 15193671
N-(3,3-didecoxypropyl)formamide
CID 57283019
N-[3-(4-methylpentoxy)propyl]formamide
CID 167156422
3-formamidopropyl dimethyl phosphate
CID 143134833
N-[3-(2-methylbutoxy)propyl]formamide
CID 90045792
ethane;N-pentylformamide
CID 145350301
N-tetracosylformamide
CID 54077607
N-pentacosylformamide
CID 88723962
N-[3-[2-(methylamino)ethoxy]propyl]formamide
CID 171561109
2,2-difluoroethyl 4-formamidobutanoate
CID 166769091
N-(5-heptyltridecyl)formamide
CID 166649045
N-[4-[methyl(propan-2-yl)amino]butyl]formamide
CID 64991998

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethoxy)propyl]formamide?
The IUPAC name of N-[3-(difluoromethoxy)propyl]formamide (CID 130901466) is N-[3-(difluoromethoxy)propyl]formamide.
What is the SMILES notation for N-[3-(difluoromethoxy)propyl]formamide?
The canonical SMILES for N-[3-(difluoromethoxy)propyl]formamide is O=CNCCCOC(F)F.
What is the InChIKey of N-[3-(difluoromethoxy)propyl]formamide?
The InChIKey is MNZKKNZAXFLBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO2/c6-5(7)10-3-1-2-8-4-9/h4-5H,1-3H2,(H,8,9).
What are the key properties of N-[3-(difluoromethoxy)propyl]formamide?
N-[3-(difluoromethoxy)propyl]formamide has a molecular weight of 153.13 g/mol, XLogP of 0.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethoxy)propyl]formamide is sourced from PubChem (CID 130901466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).