(5-amino-2-chloro-4-fluorophenoxy)-hydroxy-oxophosphanium;butane

C10H15ClFNO3P+ — CID 70406099

IUPAC(5-amino-2-chloro-4-fluorophenoxy)-hydroxy-oxophosphanium;butane
SMILESCCCC.Nc1cc(O[P+](=O)O)c(Cl)cc1F
InChIInChI=1S/C6H4ClFNO3P.C4H10/c7-3-1-4(8)5(9)2-6(3)12-13(10)11;1-3-4-2/h1-2H,9H2;3-4H2,1-2H3/p+1
InChIKeyIALJXEYLPHDESA-UHFFFAOYSA-O
MW282.66 g/mol
LogP3.90
Rot. Bonds3

About (5-amino-2-chloro-4-fluorophenoxy)-hydroxy-oxophosphanium;butane

(5-amino-2-chloro-4-fluorophenoxy)-hydroxy-oxophosphanium;butane (PubChem CID 70406099) has the molecular formula C10H15ClFNO3P+ and a molecular weight of 282.66 g/mol. Its IUPAC name is (5-amino-2-chloro-4-fluorophenoxy)-hydroxy-oxophosphanium;butane.

Molecular Properties

Compound Name(5-amino-2-chloro-4-fluorophenoxy)-hydroxy-oxophosphanium;butane
PubChem CID70406099
Molecular FormulaC10H15ClFNO3P+
Molecular Weight282.66 g/mol
Exact Mass282.05
IUPAC Name(5-amino-2-chloro-4-fluorophenoxy)-hydroxy-oxophosphanium;butane
SMILESCCCC.Nc1cc(O[P+](=O)O)c(Cl)cc1F
InChIInChI=1S/C6H4ClFNO3P.C4H10/c7-3-1-4(8)5(9)2-6(3)12-13(10)11;1-3-4-2/h1-2H,9H2;3-4H2,1-2H3/p+1
InChIKeyIALJXEYLPHDESA-UHFFFAOYSA-O
XLogP3.90
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.66
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-fluoro-5-prop-1-ynoxyaniline
CID 130018887
methyl 2-(5-amino-2-chloro-4-fluorophenoxy)propanoate
CID 22073037
1-bromo-4-chloro-2-fluoro-5-methoxybenzene;4-chloro-2-fluoro-5-methoxyaniline
CID 158676801
4-chloro-5-[(E)-3-chloroprop-2-enoxy]-2-fluoroaniline
CID 139226452
2-(5-amino-2-chloro-4-fluorophenoxy)propanenitrile
CID 19986362
5-chloro-2-fluoro-4-propan-2-yloxyaniline
CID 130516814
4-chloro-2-fluoro-5-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]aniline
CID 19832742
4-chloro-2,5-difluoroaniline;1-chloro-2,5-difluoro-4-nitrobenzene;ethanol
CID 158430373
4-bromo-2-fluoro-5-propoxyaniline
CID 13281431
1-(5-amino-2-chloro-4-fluorophenyl)sulfonyl-3-propylurea
CID 116645815
4-chloro-5-(3,6-dihydro-2H-thiopyran-6-ylmethoxy)-2-fluoroaniline
CID 22617244
5-amino-2-chloro-4-fluoro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
CID 106113557

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-chloro-4-fluorophenoxy)-hydroxy-oxophosphanium;butane?
The IUPAC name of (5-amino-2-chloro-4-fluorophenoxy)-hydroxy-oxophosphanium;butane (CID 70406099) is (5-amino-2-chloro-4-fluorophenoxy)-hydroxy-oxophosphanium;butane.
What is the SMILES notation for (5-amino-2-chloro-4-fluorophenoxy)-hydroxy-oxophosphanium;butane?
The canonical SMILES for (5-amino-2-chloro-4-fluorophenoxy)-hydroxy-oxophosphanium;butane is CCCC.Nc1cc(O[P+](=O)O)c(Cl)cc1F.
What is the InChIKey of (5-amino-2-chloro-4-fluorophenoxy)-hydroxy-oxophosphanium;butane?
The InChIKey is IALJXEYLPHDESA-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H4ClFNO3P.C4H10/c7-3-1-4(8)5(9)2-6(3)12-13(10)11;1-3-4-2/h1-2H,9H2;3-4H2,1-2H3/p+1.
What are the key properties of (5-amino-2-chloro-4-fluorophenoxy)-hydroxy-oxophosphanium;butane?
(5-amino-2-chloro-4-fluorophenoxy)-hydroxy-oxophosphanium;butane has a molecular weight of 282.66 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-chloro-4-fluorophenoxy)-hydroxy-oxophosphanium;butane is sourced from PubChem (CID 70406099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).