potassium [2,6-difluoro-4-(oxomethoxymethyl)phenyl] carbamate

C9H6F2KNO4 — CID 167519028

IUPACpotassium [2,6-difluoro-4-(oxomethoxymethyl)phenyl] carbamate
SMILESNC(=O)Oc1c(F)cc(CO[C-]=O)cc1F.[K+]
InChIInChI=1S/C9H6F2NO4.K/c10-6-1-5(3-15-4-13)2-7(11)8(6)16-9(12)14;/h1-2H,3H2,(H2,12,14);/q-1;+1
InChIKeyPQVQBXULUQKSSJ-UHFFFAOYSA-N
MW269.24 g/mol
LogP-1.99
Rot. Bonds4

About potassium [2,6-difluoro-4-(oxomethoxymethyl)phenyl] carbamate

potassium [2,6-difluoro-4-(oxomethoxymethyl)phenyl] carbamate (PubChem CID 167519028) has the molecular formula C9H6F2KNO4 and a molecular weight of 269.24 g/mol. Its IUPAC name is potassium [2,6-difluoro-4-(oxomethoxymethyl)phenyl] carbamate.

Molecular Properties

Compound Namepotassium [2,6-difluoro-4-(oxomethoxymethyl)phenyl] carbamate
PubChem CID167519028
Molecular FormulaC9H6F2KNO4
Molecular Weight269.24 g/mol
Exact Mass268.99
IUPAC Namepotassium [2,6-difluoro-4-(oxomethoxymethyl)phenyl] carbamate
SMILESNC(=O)Oc1c(F)cc(CO[C-]=O)cc1F.[K+]
InChIInChI=1S/C9H6F2NO4.K/c10-6-1-5(3-15-4-13)2-7(11)8(6)16-9(12)14;/h1-2H,3H2,(H2,12,14);/q-1;+1
InChIKeyPQVQBXULUQKSSJ-UHFFFAOYSA-N
XLogP-1.99
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.24
LogP ≤ 5-1.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2,6-difluoro-4-iodophenyl) carbamate
CID 175005492
[2,6-difluoro-4-(propan-2-ylcarbamoyloxymethyl)phenyl] 2-methylpropanoate
CID 170256035
bis(2,4,6-trifluorophenyl) oxalate
CID 23448587
3-[2,6-difluoro-4-(hydroxymethyl)phenoxy]propanamide
CID 79888639
2-amino-1-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]ethanone
CID 117326430
[2-(chloromethyl)-4,5-difluorophenyl] carbamate
CID 151695437
1-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]ethanone
CID 83885726
2-amino-3-(3,5-difluoro-4-methoxyphenyl)propanoic acid
CID 46737478
2-[4-(aminomethyl)-2,6-difluorophenoxy]propanamide
CID 79886751
(2,3-difluoro-4-hydroxy-6-methylphenyl) carbamate
CID 175119209
3-[4-(aminomethyl)-2,6-difluorophenoxy]-2-methylpropanamide
CID 79886481
ethyl 2-amino-3-(3,5-difluoro-4-methoxyphenyl)propanoate
CID 170885235

Frequently Asked Questions

What is the IUPAC name of potassium [2,6-difluoro-4-(oxomethoxymethyl)phenyl] carbamate?
The IUPAC name of potassium [2,6-difluoro-4-(oxomethoxymethyl)phenyl] carbamate (CID 167519028) is potassium [2,6-difluoro-4-(oxomethoxymethyl)phenyl] carbamate.
What is the SMILES notation for potassium [2,6-difluoro-4-(oxomethoxymethyl)phenyl] carbamate?
The canonical SMILES for potassium [2,6-difluoro-4-(oxomethoxymethyl)phenyl] carbamate is NC(=O)Oc1c(F)cc(CO[C-]=O)cc1F.[K+].
What is the InChIKey of potassium [2,6-difluoro-4-(oxomethoxymethyl)phenyl] carbamate?
The InChIKey is PQVQBXULUQKSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2NO4.K/c10-6-1-5(3-15-4-13)2-7(11)8(6)16-9(12)14;/h1-2H,3H2,(H2,12,14);/q-1;+1.
What are the key properties of potassium [2,6-difluoro-4-(oxomethoxymethyl)phenyl] carbamate?
potassium [2,6-difluoro-4-(oxomethoxymethyl)phenyl] carbamate has a molecular weight of 269.24 g/mol, XLogP of -1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium [2,6-difluoro-4-(oxomethoxymethyl)phenyl] carbamate is sourced from PubChem (CID 167519028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).