6,7,8-trifluoroquinoline-2-carbonitrile

C10H3F3N2 — CID 82241514

IUPAC6,7,8-trifluoroquinoline-2-carbonitrile
SMILESN#Cc1ccc2cc(F)c(F)c(F)c2n1
InChIInChI=1S/C10H3F3N2/c11-7-3-5-1-2-6(4-14)15-10(5)9(13)8(7)12/h1-3H
InChIKeyVHCVYMZIJDJXDZ-UHFFFAOYSA-N
MW208.14 g/mol
LogP2.52
Rot. Bonds

About 6,7,8-trifluoroquinoline-2-carbonitrile

6,7,8-trifluoroquinoline-2-carbonitrile (PubChem CID 82241514) has the molecular formula C10H3F3N2 and a molecular weight of 208.14 g/mol. Its IUPAC name is 6,7,8-trifluoroquinoline-2-carbonitrile.

Molecular Properties

Compound Name6,7,8-trifluoroquinoline-2-carbonitrile
PubChem CID82241514
Molecular FormulaC10H3F3N2
Molecular Weight208.14 g/mol
Exact Mass208.02
IUPAC Name6,7,8-trifluoroquinoline-2-carbonitrile
SMILESN#Cc1ccc2cc(F)c(F)c(F)c2n1
InChIInChI=1S/C10H3F3N2/c11-7-3-5-1-2-6(4-14)15-10(5)9(13)8(7)12/h1-3H
InChIKeyVHCVYMZIJDJXDZ-UHFFFAOYSA-N
XLogP2.52
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.14
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5,6,7-trifluoroquinoline-2-carbonitrile
CID 102941305
2-bromo-6,7,8-trifluoroquinoline
CID 102941040
6,8-dibromoquinoline-2-carbonitrile
CID 102941313
5,8-difluoroquinoline-2-carbonitrile
CID 82241045
8-chloro-6-iodoquinoline-2-carbonitrile
CID 107608577
7-fluoro-6-methoxyquinoline-2-carbonitrile
CID 102941351
6-(aminomethyl)-5-fluoropyridine-2-carbonitrile
CID 170449568
CID 88936778
CID 88936778
9-isocyano-1,10-phenanthroline-2-carbonitrile
CID 58979970
4-fluoropyridine-2,6-dicarbonitrile
CID 175672759
7-(trifluoromethyl)quinoline-2-carbonitrile
CID 75355798
6,8-dimethoxy-1,5-naphthyridine-2-carbonitrile
CID 59256522

Frequently Asked Questions

What is the IUPAC name of 6,7,8-trifluoroquinoline-2-carbonitrile?
The IUPAC name of 6,7,8-trifluoroquinoline-2-carbonitrile (CID 82241514) is 6,7,8-trifluoroquinoline-2-carbonitrile.
What is the SMILES notation for 6,7,8-trifluoroquinoline-2-carbonitrile?
The canonical SMILES for 6,7,8-trifluoroquinoline-2-carbonitrile is N#Cc1ccc2cc(F)c(F)c(F)c2n1.
What is the InChIKey of 6,7,8-trifluoroquinoline-2-carbonitrile?
The InChIKey is VHCVYMZIJDJXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H3F3N2/c11-7-3-5-1-2-6(4-14)15-10(5)9(13)8(7)12/h1-3H.
What are the key properties of 6,7,8-trifluoroquinoline-2-carbonitrile?
6,7,8-trifluoroquinoline-2-carbonitrile has a molecular weight of 208.14 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8-trifluoroquinoline-2-carbonitrile is sourced from PubChem (CID 82241514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).