CID 88656864

C6H7F3N2 — CID 88656864

IUPAC—
SMILESCc1ncccc1F.FNF
InChIInChI=1S/C6H6FN.F2HN/c1-5-6(7)3-2-4-8-5;1-3-2/h2-4H,1H3;3H
InChIKeyRRZYKGUORMELPL-UHFFFAOYSA-N
MW164.13 g/mol
LogP1.87
Rot. Bonds

About CID 88656864

CID 88656864 (PubChem CID 88656864) has the molecular formula C6H7F3N2 and a molecular weight of 164.13 g/mol.

Molecular Properties

Compound NameCID 88656864
PubChem CID88656864
Molecular FormulaC6H7F3N2
Molecular Weight164.13 g/mol
Exact Mass164.06
IUPAC Name—
SMILESCc1ncccc1F.FNF
InChIInChI=1S/C6H6FN.F2HN/c1-5-6(7)3-2-4-8-5;1-3-2/h2-4H,1H3;3H
InChIKeyRRZYKGUORMELPL-UHFFFAOYSA-N
XLogP1.87
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.13
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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2,3-dimethylpyridine;1,4-xylene
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bis(2,3-dimethylpyridine);ethane
CID 159594018
[difluoro-(2-methyl-3-pyridinyl)methyl]phosphane
CID 142110745
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CID 133090011
ethane;1-(2-methyl-3-pyridinyl)ethanone
CID 143815583
1,3-dichloro-2-methylbenzene;bis(2,3-dimethylpyridine);1-fluoro-2-methylbenzene
CID 158361621
2-fluoro-6-hydroxy-N-(2-methyl-3-pyridinyl)benzamide
CID 104917973
3-fluoro-N-[(4-methylphenyl)methyl]pyridine-2-sulfonamide
CID 103299052

Frequently Asked Questions

What is the IUPAC name of CID 88656864?
The IUPAC name of CID 88656864 (CID 88656864) is not available.
What is the SMILES notation for CID 88656864?
The canonical SMILES for CID 88656864 is Cc1ncccc1F.FNF.
What is the InChIKey of CID 88656864?
The InChIKey is RRZYKGUORMELPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FN.F2HN/c1-5-6(7)3-2-4-8-5;1-3-2/h2-4H,1H3;3H.
What are the key properties of CID 88656864?
CID 88656864 has a molecular weight of 164.13 g/mol, XLogP of 1.87, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88656864 is sourced from PubChem (CID 88656864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).