(2-fluorophenyl)imino-tri(pyrrol-1-yl)-λ5-phosphane

C18H16FN4P — CID 91395352

IUPAC(2-fluorophenyl)imino-tri(pyrrol-1-yl)-λ5-phosphane
SMILESFc1ccccc1N=P(n1cccc1)(n1cccc1)n1cccc1
InChIInChI=1S/C18H16FN4P/c19-17-9-1-2-10-18(17)20-24(21-11-3-4-12-21,22-13-5-6-14-22)23-15-7-8-16-23/h1-16H
InChIKeyUTRPXBSGGACRPP-UHFFFAOYSA-N
MW338.33 g/mol
LogP5.45
Rot. Bonds4

About (2-fluorophenyl)imino-tri(pyrrol-1-yl)-λ5-phosphane

(2-fluorophenyl)imino-tri(pyrrol-1-yl)-λ5-phosphane (PubChem CID 91395352) has the molecular formula C18H16FN4P and a molecular weight of 338.33 g/mol. Its IUPAC name is (2-fluorophenyl)imino-tri(pyrrol-1-yl)-λ5-phosphane.

Molecular Properties

Compound Name(2-fluorophenyl)imino-tri(pyrrol-1-yl)-λ5-phosphane
PubChem CID91395352
Molecular FormulaC18H16FN4P
Molecular Weight338.33 g/mol
Exact Mass338.11
IUPAC Name(2-fluorophenyl)imino-tri(pyrrol-1-yl)-λ5-phosphane
SMILESFc1ccccc1N=P(n1cccc1)(n1cccc1)n1cccc1
InChIInChI=1S/C18H16FN4P/c19-17-9-1-2-10-18(17)20-24(21-11-3-4-12-21,22-13-5-6-14-22)23-15-7-8-16-23/h1-16H
InChIKeyUTRPXBSGGACRPP-UHFFFAOYSA-N
XLogP5.45
TPSA27.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.33
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)imino-tri(pyrrol-1-yl)-λ5-phosphane?
The IUPAC name of (2-fluorophenyl)imino-tri(pyrrol-1-yl)-λ5-phosphane (CID 91395352) is (2-fluorophenyl)imino-tri(pyrrol-1-yl)-λ5-phosphane.
What is the SMILES notation for (2-fluorophenyl)imino-tri(pyrrol-1-yl)-λ5-phosphane?
The canonical SMILES for (2-fluorophenyl)imino-tri(pyrrol-1-yl)-λ5-phosphane is Fc1ccccc1N=P(n1cccc1)(n1cccc1)n1cccc1.
What is the InChIKey of (2-fluorophenyl)imino-tri(pyrrol-1-yl)-λ5-phosphane?
The InChIKey is UTRPXBSGGACRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN4P/c19-17-9-1-2-10-18(17)20-24(21-11-3-4-12-21,22-13-5-6-14-22)23-15-7-8-16-23/h1-16H.
What are the key properties of (2-fluorophenyl)imino-tri(pyrrol-1-yl)-λ5-phosphane?
(2-fluorophenyl)imino-tri(pyrrol-1-yl)-λ5-phosphane has a molecular weight of 338.33 g/mol, XLogP of 5.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)imino-tri(pyrrol-1-yl)-λ5-phosphane is sourced from PubChem (CID 91395352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).