(2,3-difluoro-5-nitrophenyl)phosphane

C6H4F2NO2P — CID 142842521

IUPAC(2,3-difluoro-5-nitrophenyl)phosphane
SMILESO=[N+]([O-])c1cc(F)c(F)c(P)c1
InChIInChI=1S/C6H4F2NO2P/c7-4-1-3(9(10)11)2-5(12)6(4)8/h1-2H,12H2
InChIKeyOXLMLNASLNGIAE-UHFFFAOYSA-N
MW191.07 g/mol
LogP1.37
Rot. Bonds1

About (2,3-difluoro-5-nitrophenyl)phosphane

(2,3-difluoro-5-nitrophenyl)phosphane (PubChem CID 142842521) has the molecular formula C6H4F2NO2P and a molecular weight of 191.07 g/mol. Its IUPAC name is (2,3-difluoro-5-nitrophenyl)phosphane.

Molecular Properties

Compound Name(2,3-difluoro-5-nitrophenyl)phosphane
PubChem CID142842521
Molecular FormulaC6H4F2NO2P
Molecular Weight191.07 g/mol
Exact Mass190.99
IUPAC Name(2,3-difluoro-5-nitrophenyl)phosphane
SMILESO=[N+]([O-])c1cc(F)c(F)c(P)c1
InChIInChI=1S/C6H4F2NO2P/c7-4-1-3(9(10)11)2-5(12)6(4)8/h1-2H,12H2
InChIKeyOXLMLNASLNGIAE-UHFFFAOYSA-N
XLogP1.37
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.07
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2,3-difluoro-5-nitrobenzenesulfonamide
CID 63841468
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(2S)-2-(2,3-difluoro-5-nitrophenyl)-2-hydroxyacetic acid
CID 125129452
(2,3-difluoro-5-nitrophenoxy)boronic acid
CID 142727375
3-chloro-4,5-difluoroaniline;1-chloro-2,3-difluoro-5-nitrobenzene
CID 159546994
1,2-dibromo-3-fluoro-5-nitrobenzene
CID 118841496
1,3-difluoro-2-methoxy-5-nitrobenzene
CID 605060
2-fluoro-6-iodo-4-nitrophenol
CID 104506154
2,6-difluoro-4-nitro-1-oxidopyridin-1-ium
CID 102148866
5-nitro-3-N-(3,4,5-trifluorophenyl)benzene-1,3-diamine
CID 80824941
2,3,5,6-tetrafluoro-N-(3-fluoro-5-nitrophenyl)aniline
CID 107645553
ethyl 2-(2,3-difluoro-5-nitrophenyl)acetate
CID 121228590

Frequently Asked Questions

What is the IUPAC name of (2,3-difluoro-5-nitrophenyl)phosphane?
The IUPAC name of (2,3-difluoro-5-nitrophenyl)phosphane (CID 142842521) is (2,3-difluoro-5-nitrophenyl)phosphane.
What is the SMILES notation for (2,3-difluoro-5-nitrophenyl)phosphane?
The canonical SMILES for (2,3-difluoro-5-nitrophenyl)phosphane is O=[N+]([O-])c1cc(F)c(F)c(P)c1.
What is the InChIKey of (2,3-difluoro-5-nitrophenyl)phosphane?
The InChIKey is OXLMLNASLNGIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F2NO2P/c7-4-1-3(9(10)11)2-5(12)6(4)8/h1-2H,12H2.
What are the key properties of (2,3-difluoro-5-nitrophenyl)phosphane?
(2,3-difluoro-5-nitrophenyl)phosphane has a molecular weight of 191.07 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluoro-5-nitrophenyl)phosphane is sourced from PubChem (CID 142842521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).