2-(2-fluoro-4-formylphenoxy)-5-(trifluoromethyl)benzonitrile

C15H7F4NO2 — CID 118679156

IUPAC2-(2-fluoro-4-formylphenoxy)-5-(trifluoromethyl)benzonitrile
SMILESN#Cc1cc(C(F)(F)F)ccc1Oc1ccc(C=O)cc1F
InChIInChI=1S/C15H7F4NO2/c16-12-5-9(8-21)1-3-14(12)22-13-4-2-11(15(17,18)19)6-10(13)7-20/h1-6,8H
InChIKeyNFBDVTABPHETTI-UHFFFAOYSA-N
MW309.22 g/mol
LogP4.32
Rot. Bonds3

About 2-(2-fluoro-4-formylphenoxy)-5-(trifluoromethyl)benzonitrile

2-(2-fluoro-4-formylphenoxy)-5-(trifluoromethyl)benzonitrile (PubChem CID 118679156) has the molecular formula C15H7F4NO2 and a molecular weight of 309.22 g/mol. Its IUPAC name is 2-(2-fluoro-4-formylphenoxy)-5-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name2-(2-fluoro-4-formylphenoxy)-5-(trifluoromethyl)benzonitrile
PubChem CID118679156
Molecular FormulaC15H7F4NO2
Molecular Weight309.22 g/mol
Exact Mass309.04
IUPAC Name2-(2-fluoro-4-formylphenoxy)-5-(trifluoromethyl)benzonitrile
SMILESN#Cc1cc(C(F)(F)F)ccc1Oc1ccc(C=O)cc1F
InChIInChI=1S/C15H7F4NO2/c16-12-5-9(8-21)1-3-14(12)22-13-4-2-11(15(17,18)19)6-10(13)7-20/h1-6,8H
InChIKeyNFBDVTABPHETTI-UHFFFAOYSA-N
XLogP4.32
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.22
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-difluorophenoxy)-5-(trifluoromethyl)benzonitrile
CID 63269377
2-(5-bromo-2-fluorophenoxy)-5-(trifluoromethyl)benzonitrile
CID 114672339
5-formyl-2-(3,4,5-trifluorophenoxy)benzonitrile
CID 86724189
2-(5-bromo-2-fluorophenoxy)-5-formylbenzonitrile
CID 114063362
2-(2-hydroxyphenoxy)-5-(trifluoromethyl)benzonitrile
CID 12805692
2-fluoro-6-(2-fluoro-4-formylphenoxy)benzonitrile
CID 43609110
2-[3-chloro-4-(trifluoromethyl)phenoxy]-5-formylbenzonitrile
CID 87170517
2-(4-nitrophenoxy)-5-(trifluoromethyl)benzonitrile
CID 23344653
2-(2,5-dimethylphenoxy)-5-formylbenzonitrile
CID 114063341
2-(3-fluoro-4-isocyanophenoxy)-5-formylbenzonitrile
CID 123808636
2-(4-bromophenoxy)-5-formylbenzonitrile
CID 114063339
4-(4-formylphenoxy)-2-(trifluoromethyl)benzonitrile
CID 51051320

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-formylphenoxy)-5-(trifluoromethyl)benzonitrile?
The IUPAC name of 2-(2-fluoro-4-formylphenoxy)-5-(trifluoromethyl)benzonitrile (CID 118679156) is 2-(2-fluoro-4-formylphenoxy)-5-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 2-(2-fluoro-4-formylphenoxy)-5-(trifluoromethyl)benzonitrile?
The canonical SMILES for 2-(2-fluoro-4-formylphenoxy)-5-(trifluoromethyl)benzonitrile is N#Cc1cc(C(F)(F)F)ccc1Oc1ccc(C=O)cc1F.
What is the InChIKey of 2-(2-fluoro-4-formylphenoxy)-5-(trifluoromethyl)benzonitrile?
The InChIKey is NFBDVTABPHETTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7F4NO2/c16-12-5-9(8-21)1-3-14(12)22-13-4-2-11(15(17,18)19)6-10(13)7-20/h1-6,8H.
What are the key properties of 2-(2-fluoro-4-formylphenoxy)-5-(trifluoromethyl)benzonitrile?
2-(2-fluoro-4-formylphenoxy)-5-(trifluoromethyl)benzonitrile has a molecular weight of 309.22 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-formylphenoxy)-5-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 118679156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).