4-(4-fluorophenyl)-1,4λ5-azaphosphinane 4-oxide;hydrochloride

C10H14ClFNOP — CID 66832689

IUPAC4-(4-fluorophenyl)-1,4λ5-azaphosphinane 4-oxide;hydrochloride
SMILESCl.O=P1(c2ccc(F)cc2)CCNCC1
InChIInChI=1S/C10H13FNOP.ClH/c11-9-1-3-10(4-2-9)14(13)7-5-12-6-8-14;/h1-4,12H,5-8H2;1H
InChIKeyHAKIPCHRNJAWNI-UHFFFAOYSA-N
MW249.65 g/mol
LogP1.84
Rot. Bonds1

About 4-(4-fluorophenyl)-1,4λ5-azaphosphinane 4-oxide;hydrochloride

4-(4-fluorophenyl)-1,4λ5-azaphosphinane 4-oxide;hydrochloride (PubChem CID 66832689) has the molecular formula C10H14ClFNOP and a molecular weight of 249.65 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1,4λ5-azaphosphinane 4-oxide;hydrochloride.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1,4λ5-azaphosphinane 4-oxide;hydrochloride
PubChem CID66832689
Molecular FormulaC10H14ClFNOP
Molecular Weight249.65 g/mol
Exact Mass249.05
IUPAC Name4-(4-fluorophenyl)-1,4λ5-azaphosphinane 4-oxide;hydrochloride
SMILESCl.O=P1(c2ccc(F)cc2)CCNCC1
InChIInChI=1S/C10H13FNOP.ClH/c11-9-1-3-10(4-2-9)14(13)7-5-12-6-8-14;/h1-4,12H,5-8H2;1H
InChIKeyHAKIPCHRNJAWNI-UHFFFAOYSA-N
XLogP1.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.65
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1,4λ5-azaphosphinane 4-oxide;hydrochloride?
The IUPAC name of 4-(4-fluorophenyl)-1,4λ5-azaphosphinane 4-oxide;hydrochloride (CID 66832689) is 4-(4-fluorophenyl)-1,4λ5-azaphosphinane 4-oxide;hydrochloride.
What is the SMILES notation for 4-(4-fluorophenyl)-1,4λ5-azaphosphinane 4-oxide;hydrochloride?
The canonical SMILES for 4-(4-fluorophenyl)-1,4λ5-azaphosphinane 4-oxide;hydrochloride is Cl.O=P1(c2ccc(F)cc2)CCNCC1.
What is the InChIKey of 4-(4-fluorophenyl)-1,4λ5-azaphosphinane 4-oxide;hydrochloride?
The InChIKey is HAKIPCHRNJAWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FNOP.ClH/c11-9-1-3-10(4-2-9)14(13)7-5-12-6-8-14;/h1-4,12H,5-8H2;1H.
What are the key properties of 4-(4-fluorophenyl)-1,4λ5-azaphosphinane 4-oxide;hydrochloride?
4-(4-fluorophenyl)-1,4λ5-azaphosphinane 4-oxide;hydrochloride has a molecular weight of 249.65 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1,4λ5-azaphosphinane 4-oxide;hydrochloride is sourced from PubChem (CID 66832689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).