2-(4-fluorophenyl)-5-methyldiazaphosphole

C9H8FN2P — CID 138655007

IUPAC2-(4-fluorophenyl)-5-methyldiazaphosphole
SMILESCc1cpn(-c2ccc(F)cc2)n1
InChIInChI=1S/C9H8FN2P/c1-7-6-13-12(11-7)9-4-2-8(10)3-5-9/h2-6H,1H3
InChIKeyOWNZMPQRQVOMQM-UHFFFAOYSA-N
MW194.15 g/mol
LogP2.90
Rot. Bonds1

About 2-(4-fluorophenyl)-5-methyldiazaphosphole

2-(4-fluorophenyl)-5-methyldiazaphosphole (PubChem CID 138655007) has the molecular formula C9H8FN2P and a molecular weight of 194.15 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-methyldiazaphosphole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-methyldiazaphosphole
PubChem CID138655007
Molecular FormulaC9H8FN2P
Molecular Weight194.15 g/mol
Exact Mass194.04
IUPAC Name2-(4-fluorophenyl)-5-methyldiazaphosphole
SMILESCc1cpn(-c2ccc(F)cc2)n1
InChIInChI=1S/C9H8FN2P/c1-7-6-13-12(11-7)9-4-2-8(10)3-5-9/h2-6H,1H3
InChIKeyOWNZMPQRQVOMQM-UHFFFAOYSA-N
XLogP2.90
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.15
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-methyldiazaphosphole?
The IUPAC name of 2-(4-fluorophenyl)-5-methyldiazaphosphole (CID 138655007) is 2-(4-fluorophenyl)-5-methyldiazaphosphole.
What is the SMILES notation for 2-(4-fluorophenyl)-5-methyldiazaphosphole?
The canonical SMILES for 2-(4-fluorophenyl)-5-methyldiazaphosphole is Cc1cpn(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-(4-fluorophenyl)-5-methyldiazaphosphole?
The InChIKey is OWNZMPQRQVOMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN2P/c1-7-6-13-12(11-7)9-4-2-8(10)3-5-9/h2-6H,1H3.
What are the key properties of 2-(4-fluorophenyl)-5-methyldiazaphosphole?
2-(4-fluorophenyl)-5-methyldiazaphosphole has a molecular weight of 194.15 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-methyldiazaphosphole is sourced from PubChem (CID 138655007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).