1-benzyl-4-(4-fluorophenyl)-1,4-azaphosphinane

C17H19FNP — CID 91499848

IUPAC1-benzyl-4-(4-fluorophenyl)-1,4-azaphosphinane
SMILESFc1ccc(P2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C17H19FNP/c18-16-6-8-17(9-7-16)20-12-10-19(11-13-20)14-15-4-2-1-3-5-15/h1-9H,10-14H2
InChIKeyJVRSADHHKFZSBR-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.45
Rot. Bonds3

About 1-benzyl-4-(4-fluorophenyl)-1,4-azaphosphinane

1-benzyl-4-(4-fluorophenyl)-1,4-azaphosphinane (PubChem CID 91499848) has the molecular formula C17H19FNP and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-benzyl-4-(4-fluorophenyl)-1,4-azaphosphinane.

Molecular Properties

Compound Name1-benzyl-4-(4-fluorophenyl)-1,4-azaphosphinane
PubChem CID91499848
Molecular FormulaC17H19FNP
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC Name1-benzyl-4-(4-fluorophenyl)-1,4-azaphosphinane
SMILESFc1ccc(P2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C17H19FNP/c18-16-6-8-17(9-7-16)20-12-10-19(11-13-20)14-15-4-2-1-3-5-15/h1-9H,10-14H2
InChIKeyJVRSADHHKFZSBR-UHFFFAOYSA-N
XLogP3.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-4-phenyl-1,4-azaphosphinane
CID 91356669
1,4,7,10-tetrakis[(4-fluorophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102293981
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-benzyl-4-(4-fluorophenyl)piperidin-4-ol;hydrochloride
CID 71627119
1-benzyl-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperazine
CID 171911015
N-benzyl-1-[(4-fluorophenyl)methyl]-N-methylpiperidin-4-amine
CID 754317
1-benzyl-4-[(3-fluorophenyl)methyl]piperazine
CID 764596
1-[(4-fluorophenyl)methyl]pyrrolidine
CID 10631195
1-benzyl-4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperazine
CID 1334692
1-benzyl-4-(4-fluorophenyl)sulfonylpiperazine
CID 563073
1-(4-benzylpiperazin-1-yl)-2-(4-fluorophenyl)ethanone
CID 21241521
1-benzylazepane
CID 10954328

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(4-fluorophenyl)-1,4-azaphosphinane?
The IUPAC name of 1-benzyl-4-(4-fluorophenyl)-1,4-azaphosphinane (CID 91499848) is 1-benzyl-4-(4-fluorophenyl)-1,4-azaphosphinane.
What is the SMILES notation for 1-benzyl-4-(4-fluorophenyl)-1,4-azaphosphinane?
The canonical SMILES for 1-benzyl-4-(4-fluorophenyl)-1,4-azaphosphinane is Fc1ccc(P2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 1-benzyl-4-(4-fluorophenyl)-1,4-azaphosphinane?
The InChIKey is JVRSADHHKFZSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FNP/c18-16-6-8-17(9-7-16)20-12-10-19(11-13-20)14-15-4-2-1-3-5-15/h1-9H,10-14H2.
What are the key properties of 1-benzyl-4-(4-fluorophenyl)-1,4-azaphosphinane?
1-benzyl-4-(4-fluorophenyl)-1,4-azaphosphinane has a molecular weight of 287.32 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(4-fluorophenyl)-1,4-azaphosphinane is sourced from PubChem (CID 91499848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).