2,3,4,5-tetrafluorobenzonitrile

C7HF4N — CID 600224

IUPAC2,3,4,5-tetrafluorobenzonitrile
SMILESN#Cc1cc(F)c(F)c(F)c1F
InChIInChI=1S/C7HF4N/c8-4-1-3(2-12)5(9)7(11)6(4)10/h1H
InChIKeyGLTGXIGJLCSEAM-UHFFFAOYSA-N
MW175.08 g/mol
LogP2.11
Rot. Bonds

About 2,3,4,5-tetrafluorobenzonitrile

2,3,4,5-tetrafluorobenzonitrile (PubChem CID 600224) has the molecular formula C7HF4N and a molecular weight of 175.08 g/mol. Its IUPAC name is 2,3,4,5-tetrafluorobenzonitrile.

Molecular Properties

Compound Name2,3,4,5-tetrafluorobenzonitrile
PubChem CID600224
Molecular FormulaC7HF4N
Molecular Weight175.08 g/mol
Exact Mass175.00
IUPAC Name2,3,4,5-tetrafluorobenzonitrile
SMILESN#Cc1cc(F)c(F)c(F)c1F
InChIInChI=1S/C7HF4N/c8-4-1-3(2-12)5(9)7(11)6(4)10/h1H
InChIKeyGLTGXIGJLCSEAM-UHFFFAOYSA-N
XLogP2.11
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.08
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

Benzonitrile
CID 7505
Benzeneacetonitrile, 4-fluoro-
CID 68016
4-Fluorobenzonitrile
CID 14517
2,6-Difluorobenzonitrile
CID 74695
3-(Trifluoromethyl)benzonitrile
CID 67783
2-Fluorobenzonitrile
CID 67855
3-Fluorobenzonitrile
CID 67880
Benzonitrile, 4-(trifluoromethyl)-
CID 67995
Pentafluorobenzonitrile
CID 69882
1,4-Benzenedicarbonitrile, 2,5-difluoro-
CID 121193
1,4-Benzenedicarbonitrile, 2-fluoro-
CID 121194
1,3-Benzenedicarbonitrile, 4-fluoro-
CID 202921

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrafluorobenzonitrile?
The IUPAC name of 2,3,4,5-tetrafluorobenzonitrile (CID 600224) is 2,3,4,5-tetrafluorobenzonitrile.
What is the SMILES notation for 2,3,4,5-tetrafluorobenzonitrile?
The canonical SMILES for 2,3,4,5-tetrafluorobenzonitrile is N#Cc1cc(F)c(F)c(F)c1F.
What is the InChIKey of 2,3,4,5-tetrafluorobenzonitrile?
The InChIKey is GLTGXIGJLCSEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7HF4N/c8-4-1-3(2-12)5(9)7(11)6(4)10/h1H.
What are the key properties of 2,3,4,5-tetrafluorobenzonitrile?
2,3,4,5-tetrafluorobenzonitrile has a molecular weight of 175.08 g/mol, XLogP of 2.11, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrafluorobenzonitrile is sourced from PubChem (CID 600224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).