1,3-bis(4-fluorophenyl)-2-methyl-1,3,2λ5-diazaphospholidine 2-oxide

C15H15F2N2OP — CID 159663029

IUPAC1,3-bis(4-fluorophenyl)-2-methyl-1,3,2λ5-diazaphospholidine 2-oxide
SMILESCP1(=O)N(c2ccc(F)cc2)CCN1c1ccc(F)cc1
InChIInChI=1S/C15H15F2N2OP/c1-21(20)18(14-6-2-12(16)3-7-14)10-11-19(21)15-8-4-13(17)5-9-15/h2-9H,10-11H2,1H3
InChIKeyBNFKGIUDEPGARP-UHFFFAOYSA-N
MW308.27 g/mol
LogP4.11
Rot. Bonds2

About 1,3-bis(4-fluorophenyl)-2-methyl-1,3,2λ5-diazaphospholidine 2-oxide

1,3-bis(4-fluorophenyl)-2-methyl-1,3,2λ5-diazaphospholidine 2-oxide (PubChem CID 159663029) has the molecular formula C15H15F2N2OP and a molecular weight of 308.27 g/mol. Its IUPAC name is 1,3-bis(4-fluorophenyl)-2-methyl-1,3,2λ5-diazaphospholidine 2-oxide.

Molecular Properties

Compound Name1,3-bis(4-fluorophenyl)-2-methyl-1,3,2λ5-diazaphospholidine 2-oxide
PubChem CID159663029
Molecular FormulaC15H15F2N2OP
Molecular Weight308.27 g/mol
Exact Mass308.09
IUPAC Name1,3-bis(4-fluorophenyl)-2-methyl-1,3,2λ5-diazaphospholidine 2-oxide
SMILESCP1(=O)N(c2ccc(F)cc2)CCN1c1ccc(F)cc1
InChIInChI=1S/C15H15F2N2OP/c1-21(20)18(14-6-2-12(16)3-7-14)10-11-19(21)15-8-4-13(17)5-9-15/h2-9H,10-11H2,1H3
InChIKeyBNFKGIUDEPGARP-UHFFFAOYSA-N
XLogP4.11
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.27
LogP ≤ 54.11
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

1,3-bis(4-fluorophenyl)-1,3-diazinane-2,4,6-trione
CID 155023000
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CID 10903809
1-(4-fluorophenyl)-2-methylpyrazolidine
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1-(4-fluorophenyl)-2-methyldiazinane
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4-[4-(4-fluorophenyl)piperazin-1-yl]benzaldehyde
CID 28603665
1-(4-fluorophenyl)pyrrolidin-3-one
CID 23052703
[4-(4-fluorophenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone
CID 51240546
1-ethyl-3-(4-fluorophenyl)imidazolidin-2-one
CID 23201880
1-(4-acetylpiperazin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethane-1,2-dione
CID 108508298
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CID 102356016
1-(4-fluorophenyl)-4-sulfanylpiperazine
CID 123797629

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(4-fluorophenyl)-2-methyl-1,3,2λ5-diazaphospholidine 2-oxide?
The IUPAC name of 1,3-bis(4-fluorophenyl)-2-methyl-1,3,2λ5-diazaphospholidine 2-oxide (CID 159663029) is 1,3-bis(4-fluorophenyl)-2-methyl-1,3,2λ5-diazaphospholidine 2-oxide.
What is the SMILES notation for 1,3-bis(4-fluorophenyl)-2-methyl-1,3,2λ5-diazaphospholidine 2-oxide?
The canonical SMILES for 1,3-bis(4-fluorophenyl)-2-methyl-1,3,2λ5-diazaphospholidine 2-oxide is CP1(=O)N(c2ccc(F)cc2)CCN1c1ccc(F)cc1.
What is the InChIKey of 1,3-bis(4-fluorophenyl)-2-methyl-1,3,2λ5-diazaphospholidine 2-oxide?
The InChIKey is BNFKGIUDEPGARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N2OP/c1-21(20)18(14-6-2-12(16)3-7-14)10-11-19(21)15-8-4-13(17)5-9-15/h2-9H,10-11H2,1H3.
What are the key properties of 1,3-bis(4-fluorophenyl)-2-methyl-1,3,2λ5-diazaphospholidine 2-oxide?
1,3-bis(4-fluorophenyl)-2-methyl-1,3,2λ5-diazaphospholidine 2-oxide has a molecular weight of 308.27 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(4-fluorophenyl)-2-methyl-1,3,2λ5-diazaphospholidine 2-oxide is sourced from PubChem (CID 159663029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).