1-(2,6-difluorophenyl)ethyl N-methylcarbamate

C10H11F2NO2 — CID 23548319

IUPAC1-(2,6-difluorophenyl)ethyl N-methylcarbamate
SMILESCNC(=O)OC(C)c1c(F)cccc1F
InChIInChI=1S/C10H11F2NO2/c1-6(15-10(14)13-2)9-7(11)4-3-5-8(9)12/h3-6H,1-2H3,(H,13,14)
InChIKeyARXDACLWZUAHQV-UHFFFAOYSA-N
MW215.20 g/mol
LogP2.38
Rot. Bonds2

About 1-(2,6-difluorophenyl)ethyl N-methylcarbamate

1-(2,6-difluorophenyl)ethyl N-methylcarbamate (PubChem CID 23548319) has the molecular formula C10H11F2NO2 and a molecular weight of 215.20 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)ethyl N-methylcarbamate.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)ethyl N-methylcarbamate
PubChem CID23548319
Molecular FormulaC10H11F2NO2
Molecular Weight215.20 g/mol
Exact Mass215.08
IUPAC Name1-(2,6-difluorophenyl)ethyl N-methylcarbamate
SMILESCNC(=O)OC(C)c1c(F)cccc1F
InChIInChI=1S/C10H11F2NO2/c1-6(15-10(14)13-2)9-7(11)4-3-5-8(9)12/h3-6H,1-2H3,(H,13,14)
InChIKeyARXDACLWZUAHQV-UHFFFAOYSA-N
XLogP2.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Carfimate
CID 19111
Benzyl (2-oxopropyl)carbamate
CID 22747857
Benzyl Cyanomethylcarbamate
CID 244143
Benzyl carbamate
CID 12136
benzyl N-methylcarbamate
CID 562265
benzyl N-(prop-2-en-1-yl)carbamate
CID 562279
Benzyl prop-2-yn-1-ylcarbamate
CID 11137906
benzyl N-(2-methylpropyl)carbamate
CID 14568365
benzyl N-[(1E)-buta-1,3-dienyl]carbamate
CID 5384222
Benzyl dimethylcarbamate
CID 12963450
Carbamic acid, (alpha-ethylbenzyl) ester
CID 52366
1-Phenylethyl hydrogen (2-(diethylamino)ethyl)carbonimidate--hydrogen chloride (1/1)
CID 58441

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)ethyl N-methylcarbamate?
The IUPAC name of 1-(2,6-difluorophenyl)ethyl N-methylcarbamate (CID 23548319) is 1-(2,6-difluorophenyl)ethyl N-methylcarbamate.
What is the SMILES notation for 1-(2,6-difluorophenyl)ethyl N-methylcarbamate?
The canonical SMILES for 1-(2,6-difluorophenyl)ethyl N-methylcarbamate is CNC(=O)OC(C)c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)ethyl N-methylcarbamate?
The InChIKey is ARXDACLWZUAHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO2/c1-6(15-10(14)13-2)9-7(11)4-3-5-8(9)12/h3-6H,1-2H3,(H,13,14).
What are the key properties of 1-(2,6-difluorophenyl)ethyl N-methylcarbamate?
1-(2,6-difluorophenyl)ethyl N-methylcarbamate has a molecular weight of 215.20 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)ethyl N-methylcarbamate is sourced from PubChem (CID 23548319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).