phosphane;1,3,5-trifluoro-2-iodobenzene

C6H5F3IP — CID 175314660

IUPACphosphane;1,3,5-trifluoro-2-iodobenzene
SMILESFc1cc(F)c(I)c(F)c1.P
InChIInChI=1S/C6H2F3I.H3P/c7-3-1-4(8)6(10)5(9)2-3;/h1-2H;1H3
InChIKeyUPYPBGRACVCJGS-UHFFFAOYSA-N
MW291.98 g/mol
LogP2.77
Rot. Bonds

About phosphane;1,3,5-trifluoro-2-iodobenzene

phosphane;1,3,5-trifluoro-2-iodobenzene (PubChem CID 175314660) has the molecular formula C6H5F3IP and a molecular weight of 291.98 g/mol. Its IUPAC name is phosphane;1,3,5-trifluoro-2-iodobenzene.

Molecular Properties

Compound Namephosphane;1,3,5-trifluoro-2-iodobenzene
PubChem CID175314660
Molecular FormulaC6H5F3IP
Molecular Weight291.98 g/mol
Exact Mass291.91
IUPAC Namephosphane;1,3,5-trifluoro-2-iodobenzene
SMILESFc1cc(F)c(I)c(F)c1.P
InChIInChI=1S/C6H2F3I.H3P/c7-3-1-4(8)6(10)5(9)2-3;/h1-2H;1H3
InChIKeyUPYPBGRACVCJGS-UHFFFAOYSA-N
XLogP2.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.98
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze phosphane;1,3,5-trifluoro-2-iodobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-difluoro-2-iodobenzaldehyde
CID 130769283
5-arsoroso-1,3-difluoro-2-iodobenzene
CID 172524676
2-[bromo-(4-iodophenyl)methyl]-1,3,5-trifluorobenzene
CID 63438762
iodo-(2,4,6-trifluorophenyl)phosphane
CID 175314658
2-(2,4,6-trifluorophenyl)ethanamine
CID 10631080
(4-iodophenyl)-(2,4,6-trifluorophenyl)methanamine
CID 43124899
2,4,6-trifluorobenzenethiol;pentahydrofluoride
CID 173024841
2,4,6-trifluorobenzenethiol;tetrahydrofluoride
CID 173125466
magnesium;1,2,4,5-tetrafluoro-3-iodobenzene;diiodide
CID 175079415
2,4-difluoro-3,6-diiodophenol
CID 156656919
molecular hydrogen;(2,4,6-trifluorophenyl)methanamine
CID 169236849
5-fluoro-1,2-diiodo-3-methylbenzene
CID 119020477

Frequently Asked Questions

What is the IUPAC name of phosphane;1,3,5-trifluoro-2-iodobenzene?
The IUPAC name of phosphane;1,3,5-trifluoro-2-iodobenzene (CID 175314660) is phosphane;1,3,5-trifluoro-2-iodobenzene.
What is the SMILES notation for phosphane;1,3,5-trifluoro-2-iodobenzene?
The canonical SMILES for phosphane;1,3,5-trifluoro-2-iodobenzene is Fc1cc(F)c(I)c(F)c1.P.
What is the InChIKey of phosphane;1,3,5-trifluoro-2-iodobenzene?
The InChIKey is UPYPBGRACVCJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F3I.H3P/c7-3-1-4(8)6(10)5(9)2-3;/h1-2H;1H3.
What are the key properties of phosphane;1,3,5-trifluoro-2-iodobenzene?
phosphane;1,3,5-trifluoro-2-iodobenzene has a molecular weight of 291.98 g/mol, XLogP of 2.77, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for phosphane;1,3,5-trifluoro-2-iodobenzene is sourced from PubChem (CID 175314660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).