(2,6-difluoro-4-iodophenyl) carbamate

C7H4F2INO2 — CID 175005492

IUPAC(2,6-difluoro-4-iodophenyl) carbamate
SMILESNC(=O)Oc1c(F)cc(I)cc1F
InChIInChI=1S/C7H4F2INO2/c8-4-1-3(10)2-5(9)6(4)13-7(11)12/h1-2H,(H2,11,12)
InChIKeyMWOROHCLRXMEGB-UHFFFAOYSA-N
MW299.01 g/mol
LogP2.03
Rot. Bonds1

About (2,6-difluoro-4-iodophenyl) carbamate

(2,6-difluoro-4-iodophenyl) carbamate (PubChem CID 175005492) has the molecular formula C7H4F2INO2 and a molecular weight of 299.01 g/mol. Its IUPAC name is (2,6-difluoro-4-iodophenyl) carbamate.

Molecular Properties

Compound Name(2,6-difluoro-4-iodophenyl) carbamate
PubChem CID175005492
Molecular FormulaC7H4F2INO2
Molecular Weight299.01 g/mol
Exact Mass298.93
IUPAC Name(2,6-difluoro-4-iodophenyl) carbamate
SMILESNC(=O)Oc1c(F)cc(I)cc1F
InChIInChI=1S/C7H4F2INO2/c8-4-1-3(10)2-5(9)6(4)13-7(11)12/h1-2H,(H2,11,12)
InChIKeyMWOROHCLRXMEGB-UHFFFAOYSA-N
XLogP2.03
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.01
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

potassium [2,6-difluoro-4-(oxomethoxymethyl)phenyl] carbamate
CID 167519028
2,3-difluoro-5-iodobenzamide
CID 121345074
bis(2,4,6-trifluorophenyl) oxalate
CID 23448587
(2,3-difluoro-4-hydroxy-6-methylphenyl) carbamate
CID 175119209
(2R)-2-amino-2-(2,6-difluoro-4-iodophenyl)acetic acid
CID 130605598
1-(2,6-difluoro-4-iodophenyl)-2,2,2-trifluoroethanone
CID 50998410
(4-chloro-2-fluorothiophen-3-yl) carbamate
CID 175376629
[2-(chloromethyl)-4,5-difluorophenyl] carbamate
CID 151695437
(5-amino-2-chloro-3-fluorophenyl) carbamate
CID 150779474
methyl 2-fluoro-4,6-diiodobenzoate
CID 130766583
[5-(difluoromethoxy)-2,4-difluorophenyl] carbamate
CID 175535923
(2,5-dimethylfuran-3-yl) carbamate
CID 57219503

Frequently Asked Questions

What is the IUPAC name of (2,6-difluoro-4-iodophenyl) carbamate?
The IUPAC name of (2,6-difluoro-4-iodophenyl) carbamate (CID 175005492) is (2,6-difluoro-4-iodophenyl) carbamate.
What is the SMILES notation for (2,6-difluoro-4-iodophenyl) carbamate?
The canonical SMILES for (2,6-difluoro-4-iodophenyl) carbamate is NC(=O)Oc1c(F)cc(I)cc1F.
What is the InChIKey of (2,6-difluoro-4-iodophenyl) carbamate?
The InChIKey is MWOROHCLRXMEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F2INO2/c8-4-1-3(10)2-5(9)6(4)13-7(11)12/h1-2H,(H2,11,12).
What are the key properties of (2,6-difluoro-4-iodophenyl) carbamate?
(2,6-difluoro-4-iodophenyl) carbamate has a molecular weight of 299.01 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluoro-4-iodophenyl) carbamate is sourced from PubChem (CID 175005492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).