(3,4-difluoro-2-iodophenyl) N-methylcarbamate

C8H6F2INO2 — CID 91799162

IUPAC(3,4-difluoro-2-iodophenyl) N-methylcarbamate
SMILESCNC(=O)Oc1ccc(F)c(F)c1I
InChIInChI=1S/C8H6F2INO2/c1-12-8(13)14-5-3-2-4(9)6(10)7(5)11/h2-3H,1H3,(H,12,13)
InChIKeyYVQDQOQAFCHALC-UHFFFAOYSA-N
MW313.04 g/mol
LogP2.29
Rot. Bonds1

About (3,4-difluoro-2-iodophenyl) N-methylcarbamate

(3,4-difluoro-2-iodophenyl) N-methylcarbamate (PubChem CID 91799162) has the molecular formula C8H6F2INO2 and a molecular weight of 313.04 g/mol. Its IUPAC name is (3,4-difluoro-2-iodophenyl) N-methylcarbamate.

Molecular Properties

Compound Name(3,4-difluoro-2-iodophenyl) N-methylcarbamate
PubChem CID91799162
Molecular FormulaC8H6F2INO2
Molecular Weight313.04 g/mol
Exact Mass312.94
IUPAC Name(3,4-difluoro-2-iodophenyl) N-methylcarbamate
SMILESCNC(=O)Oc1ccc(F)c(F)c1I
InChIInChI=1S/C8H6F2INO2/c1-12-8(13)14-5-3-2-4(9)6(10)7(5)11/h2-3H,1H3,(H,12,13)
InChIKeyYVQDQOQAFCHALC-UHFFFAOYSA-N
XLogP2.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.04
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-bromo-3,4-difluorophenyl) N-methylcarbamate
CID 91799161
(2,3,5,6-tetrafluorophenyl) N-methylcarbamate
CID 155696614
(4-fluoro-1H-indol-5-yl) N-methylcarbamate
CID 175335995
naphthalen-1-yl N-methylcarbamate
CID 23447097
(2-amino-4-chloro-5-fluorophenyl) N-methylcarbamate
CID 164648951
(2,3,4-trifluorophenyl) 3-oxobutanoate
CID 150304039
(2-bromo-3,4-dimethylphenyl) N-methylcarbamate
CID 154109694
(2-dimethylarsanylphenyl) N-methylcarbamate;iodomethane
CID 23621979
(2,3,6-trifluorophenyl) acetate
CID 23297688
magnesium;hydride;naphthalen-1-yl N-methylcarbamate
CID 173327127
calcium;hydride;naphthalen-1-yl N-methylcarbamate
CID 173073118
(2,3,4-trifluorophenyl) 2-hydroxypropanoate
CID 117051257

Frequently Asked Questions

What is the IUPAC name of (3,4-difluoro-2-iodophenyl) N-methylcarbamate?
The IUPAC name of (3,4-difluoro-2-iodophenyl) N-methylcarbamate (CID 91799162) is (3,4-difluoro-2-iodophenyl) N-methylcarbamate.
What is the SMILES notation for (3,4-difluoro-2-iodophenyl) N-methylcarbamate?
The canonical SMILES for (3,4-difluoro-2-iodophenyl) N-methylcarbamate is CNC(=O)Oc1ccc(F)c(F)c1I.
What is the InChIKey of (3,4-difluoro-2-iodophenyl) N-methylcarbamate?
The InChIKey is YVQDQOQAFCHALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2INO2/c1-12-8(13)14-5-3-2-4(9)6(10)7(5)11/h2-3H,1H3,(H,12,13).
What are the key properties of (3,4-difluoro-2-iodophenyl) N-methylcarbamate?
(3,4-difluoro-2-iodophenyl) N-methylcarbamate has a molecular weight of 313.04 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluoro-2-iodophenyl) N-methylcarbamate is sourced from PubChem (CID 91799162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).