3-(2,5-difluorophenoxy)propanenitrile

C9H7F2NO — CID 63269641

IUPAC3-(2,5-difluorophenoxy)propanenitrile
SMILESN#CCCOc1cc(F)ccc1F
InChIInChI=1S/C9H7F2NO/c10-7-2-3-8(11)9(6-7)13-5-1-4-12/h2-3,6H,1,5H2
InChIKeyHPHIAWWKSWVXJT-UHFFFAOYSA-N
MW183.16 g/mol
LogP2.26
Rot. Bonds3

About 3-(2,5-difluorophenoxy)propanenitrile

3-(2,5-difluorophenoxy)propanenitrile (PubChem CID 63269641) has the molecular formula C9H7F2NO and a molecular weight of 183.16 g/mol. Its IUPAC name is 3-(2,5-difluorophenoxy)propanenitrile.

Molecular Properties

Compound Name3-(2,5-difluorophenoxy)propanenitrile
PubChem CID63269641
Molecular FormulaC9H7F2NO
Molecular Weight183.16 g/mol
Exact Mass183.05
IUPAC Name3-(2,5-difluorophenoxy)propanenitrile
SMILESN#CCCOc1cc(F)ccc1F
InChIInChI=1S/C9H7F2NO/c10-7-2-3-8(11)9(6-7)13-5-1-4-12/h2-3,6H,1,5H2
InChIKeyHPHIAWWKSWVXJT-UHFFFAOYSA-N
XLogP2.26
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(2,5-difluorophenoxy)propanenitrile 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

5-(2,4-difluorophenoxy)pentanenitrile
CID 60772052
6-(2,5-difluorophenoxy)hexan-1-ol
CID 103867914
1,4-difluoro-2-hexoxybenzene
CID 23437312
3-(2,5-difluorophenoxy)propanal
CID 63269959
2-[2-(2,5-difluorophenoxy)ethoxy]ethanol
CID 63268776
3-(2,5-difluorophenoxy)propanimidamide
CID 63269341
2-amino-4-(2,5-difluorophenoxy)-2-phenylbutanenitrile
CID 116692970
3-(3,5-difluorophenoxy)propanenitrile
CID 62784661
5-[2-(chloromethyl)-4-fluorophenoxy]pentanenitrile
CID 107698739
5-(2,5-difluorophenoxy)-N-methylpentan-1-amine
CID 63273148
5-(2,5-difluorophenoxy)-2-ethyl-2-(propan-2-ylamino)pentanenitrile
CID 106804787
3-(2,5-difluorophenoxy)-N'-hydroxypropanimidamide
CID 76992494

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenoxy)propanenitrile?
The IUPAC name of 3-(2,5-difluorophenoxy)propanenitrile (CID 63269641) is 3-(2,5-difluorophenoxy)propanenitrile.
What is the SMILES notation for 3-(2,5-difluorophenoxy)propanenitrile?
The canonical SMILES for 3-(2,5-difluorophenoxy)propanenitrile is N#CCCOc1cc(F)ccc1F.
What is the InChIKey of 3-(2,5-difluorophenoxy)propanenitrile?
The InChIKey is HPHIAWWKSWVXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2NO/c10-7-2-3-8(11)9(6-7)13-5-1-4-12/h2-3,6H,1,5H2.
What are the key properties of 3-(2,5-difluorophenoxy)propanenitrile?
3-(2,5-difluorophenoxy)propanenitrile has a molecular weight of 183.16 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluorophenoxy)propanenitrile is sourced from PubChem (CID 63269641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).