(2,5-difluorophenyl)methyl N-methylcarbamate

C9H9F2NO2 — CID 23548487

IUPAC(2,5-difluorophenyl)methyl N-methylcarbamate
SMILESCNC(=O)OCc1cc(F)ccc1F
InChIInChI=1S/C9H9F2NO2/c1-12-9(13)14-5-6-4-7(10)2-3-8(6)11/h2-4H,5H2,1H3,(H,12,13)
InChIKeyJLXSCRAOKFQRBQ-UHFFFAOYSA-N
MW201.17 g/mol
LogP1.82
Rot. Bonds2

About (2,5-difluorophenyl)methyl N-methylcarbamate

(2,5-difluorophenyl)methyl N-methylcarbamate (PubChem CID 23548487) has the molecular formula C9H9F2NO2 and a molecular weight of 201.17 g/mol. Its IUPAC name is (2,5-difluorophenyl)methyl N-methylcarbamate.

Molecular Properties

Compound Name(2,5-difluorophenyl)methyl N-methylcarbamate
PubChem CID23548487
Molecular FormulaC9H9F2NO2
Molecular Weight201.17 g/mol
Exact Mass201.06
IUPAC Name(2,5-difluorophenyl)methyl N-methylcarbamate
SMILESCNC(=O)OCc1cc(F)ccc1F
InChIInChI=1S/C9H9F2NO2/c1-12-9(13)14-5-6-4-7(10)2-3-8(6)11/h2-4H,5H2,1H3,(H,12,13)
InChIKeyJLXSCRAOKFQRBQ-UHFFFAOYSA-N
XLogP1.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.17
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Benzyl hydroxycarbamate
CID 18907
Benzyl (2-oxopropyl)carbamate
CID 22747857
Benzyl Cyanomethylcarbamate
CID 244143
Benzyl carbamate
CID 12136
[[N-(Benzyloxycarbonyl)Amino]Methyl]Phosphate
CID 1950
benzyl N-(2-hydroxyethyl)carbamate
CID 280458
benzyl N-methylcarbamate
CID 562265
({[(Benzyloxy)carbonyl]amino}methyl)(methyl)phosphinic acid
CID 13101397
Methyl 3-([(benzyloxy)carbonyl]amino)propanoate
CID 376763
benzyl N-(2-bromoethyl)carbamate
CID 278694
benzyl N-(3-aminopropyl)carbamate hydrochloride
CID 13196227
N-Carbobenzoxy-1,6-diaminohexane Hydrochloride
CID 13196229

Frequently Asked Questions

What is the IUPAC name of (2,5-difluorophenyl)methyl N-methylcarbamate?
The IUPAC name of (2,5-difluorophenyl)methyl N-methylcarbamate (CID 23548487) is (2,5-difluorophenyl)methyl N-methylcarbamate.
What is the SMILES notation for (2,5-difluorophenyl)methyl N-methylcarbamate?
The canonical SMILES for (2,5-difluorophenyl)methyl N-methylcarbamate is CNC(=O)OCc1cc(F)ccc1F.
What is the InChIKey of (2,5-difluorophenyl)methyl N-methylcarbamate?
The InChIKey is JLXSCRAOKFQRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO2/c1-12-9(13)14-5-6-4-7(10)2-3-8(6)11/h2-4H,5H2,1H3,(H,12,13).
What are the key properties of (2,5-difluorophenyl)methyl N-methylcarbamate?
(2,5-difluorophenyl)methyl N-methylcarbamate has a molecular weight of 201.17 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-difluorophenyl)methyl N-methylcarbamate is sourced from PubChem (CID 23548487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).