formyl fluoride;2,3,6-trifluorobenzonitrile

C8H3F4NO — CID 174393196

IUPACformyl fluoride;2,3,6-trifluorobenzonitrile
SMILESN#Cc1c(F)ccc(F)c1F.O=CF
InChIInChI=1S/C7H2F3N.CHFO/c8-5-1-2-6(9)7(10)4(5)3-11;2-1-3/h1-2H;1H
InChIKeyHIRZMOQYJYEFPL-UHFFFAOYSA-N
MW205.11 g/mol
LogP2.12
Rot. Bonds

About formyl fluoride;2,3,6-trifluorobenzonitrile

formyl fluoride;2,3,6-trifluorobenzonitrile (PubChem CID 174393196) has the molecular formula C8H3F4NO and a molecular weight of 205.11 g/mol. Its IUPAC name is formyl fluoride;2,3,6-trifluorobenzonitrile.

Molecular Properties

Compound Nameformyl fluoride;2,3,6-trifluorobenzonitrile
PubChem CID174393196
Molecular FormulaC8H3F4NO
Molecular Weight205.11 g/mol
Exact Mass205.02
IUPAC Nameformyl fluoride;2,3,6-trifluorobenzonitrile
SMILESN#Cc1c(F)ccc(F)c1F.O=CF
InChIInChI=1S/C7H2F3N.CHFO/c8-5-1-2-6(9)7(10)4(5)3-11;2-1-3/h1-2H;1H
InChIKeyHIRZMOQYJYEFPL-UHFFFAOYSA-N
XLogP2.12
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.11
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-cyano-3,4-difluorobenzamide
CID 131009208
2,6-difluoro-3-methylsulfonylbenzonitrile
CID 83410618
2-acetyl-6-fluoro-3-formylbenzonitrile
CID 171017089
2,6-difluoro-3-(2,2,2-trifluoroacetyl)benzonitrile
CID 83410573
disodium;2,6-difluoro-3-phosphonatobenzonitrile
CID 141429115
2,3-difluoro-6-propan-2-ylbenzonitrile
CID 59589200
6-(cyanomethyl)-2,3-difluorobenzonitrile
CID 119021855
3,6-difluoro-2-hydroxybenzonitrile
CID 45083150
2-fluoro-3,6-diformylbenzonitrile
CID 171011652
6-ethoxy-2,3-difluorobenzonitrile
CID 119017576
(1S)-5-fluoro-1-formyl-2,3-dihydro-1H-indene-4-carbonitrile
CID 129390000
2,3-dichloro-6-fluorobenzonitrile
CID 3767163

Frequently Asked Questions

What is the IUPAC name of formyl fluoride;2,3,6-trifluorobenzonitrile?
The IUPAC name of formyl fluoride;2,3,6-trifluorobenzonitrile (CID 174393196) is formyl fluoride;2,3,6-trifluorobenzonitrile.
What is the SMILES notation for formyl fluoride;2,3,6-trifluorobenzonitrile?
The canonical SMILES for formyl fluoride;2,3,6-trifluorobenzonitrile is N#Cc1c(F)ccc(F)c1F.O=CF.
What is the InChIKey of formyl fluoride;2,3,6-trifluorobenzonitrile?
The InChIKey is HIRZMOQYJYEFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2F3N.CHFO/c8-5-1-2-6(9)7(10)4(5)3-11;2-1-3/h1-2H;1H.
What are the key properties of formyl fluoride;2,3,6-trifluorobenzonitrile?
formyl fluoride;2,3,6-trifluorobenzonitrile has a molecular weight of 205.11 g/mol, XLogP of 2.12, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formyl fluoride;2,3,6-trifluorobenzonitrile is sourced from PubChem (CID 174393196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).