CID 18407184

C6H4F3N — CID 18407184

IUPAC—
SMILESFN(F)F.c1cc2ccc1-2
InChIInChI=1S/C6H4.F3N/c1-2-6-4-3-5(1)6;1-4(2)3/h1-4H;
InChIKeyZQJXTRUXINWPRJ-UHFFFAOYSA-N
MW147.10 g/mol
LogP2.61
Rot. Bonds

About CID 18407184

CID 18407184 (PubChem CID 18407184) has the molecular formula C6H4F3N and a molecular weight of 147.10 g/mol.

Molecular Properties

Compound NameCID 18407184
PubChem CID18407184
Molecular FormulaC6H4F3N
Molecular Weight147.10 g/mol
Exact Mass147.03
IUPAC Name—
SMILESFN(F)F.c1cc2ccc1-2
InChIInChI=1S/C6H4.F3N/c1-2-6-4-3-5(1)6;1-4(2)3/h1-4H;
InChIKeyZQJXTRUXINWPRJ-UHFFFAOYSA-N
XLogP2.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.10
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 18407184?
The IUPAC name of CID 18407184 (CID 18407184) is not available.
What is the SMILES notation for CID 18407184?
The canonical SMILES for CID 18407184 is FN(F)F.c1cc2ccc1-2.
What is the InChIKey of CID 18407184?
The InChIKey is ZQJXTRUXINWPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4.F3N/c1-2-6-4-3-5(1)6;1-4(2)3/h1-4H;.
What are the key properties of CID 18407184?
CID 18407184 has a molecular weight of 147.10 g/mol, XLogP of 2.61, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 18407184 is sourced from PubChem (CID 18407184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).