methyl N-[(4-fluorophenyl)methyl]-N-methylcarbamate

C10H12FNO2 — CID 115575391

IUPACmethyl N-[(4-fluorophenyl)methyl]-N-methylcarbamate
SMILESCOC(=O)N(C)Cc1ccc(F)cc1
InChIInChI=1S/C10H12FNO2/c1-12(10(13)14-2)7-8-3-5-9(11)6-4-8/h3-6H,7H2,1-2H3
InChIKeyASWPMQGMMFLUNE-UHFFFAOYSA-N
MW197.21 g/mol
LogP2.02
Rot. Bonds2

About methyl N-[(4-fluorophenyl)methyl]-N-methylcarbamate

methyl N-[(4-fluorophenyl)methyl]-N-methylcarbamate (PubChem CID 115575391) has the molecular formula C10H12FNO2 and a molecular weight of 197.21 g/mol. Its IUPAC name is methyl N-[(4-fluorophenyl)methyl]-N-methylcarbamate.

Molecular Properties

Compound Namemethyl N-[(4-fluorophenyl)methyl]-N-methylcarbamate
PubChem CID115575391
Molecular FormulaC10H12FNO2
Molecular Weight197.21 g/mol
Exact Mass197.09
IUPAC Namemethyl N-[(4-fluorophenyl)methyl]-N-methylcarbamate
SMILESCOC(=O)N(C)Cc1ccc(F)cc1
InChIInChI=1S/C10H12FNO2/c1-12(10(13)14-2)7-8-3-5-9(11)6-4-8/h3-6H,7H2,1-2H3
InChIKeyASWPMQGMMFLUNE-UHFFFAOYSA-N
XLogP2.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl N-[(4-fluorophenyl)methyl]-N-methylcarbamate?
The IUPAC name of methyl N-[(4-fluorophenyl)methyl]-N-methylcarbamate (CID 115575391) is methyl N-[(4-fluorophenyl)methyl]-N-methylcarbamate.
What is the SMILES notation for methyl N-[(4-fluorophenyl)methyl]-N-methylcarbamate?
The canonical SMILES for methyl N-[(4-fluorophenyl)methyl]-N-methylcarbamate is COC(=O)N(C)Cc1ccc(F)cc1.
What is the InChIKey of methyl N-[(4-fluorophenyl)methyl]-N-methylcarbamate?
The InChIKey is ASWPMQGMMFLUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2/c1-12(10(13)14-2)7-8-3-5-9(11)6-4-8/h3-6H,7H2,1-2H3.
What are the key properties of methyl N-[(4-fluorophenyl)methyl]-N-methylcarbamate?
methyl N-[(4-fluorophenyl)methyl]-N-methylcarbamate has a molecular weight of 197.21 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(4-fluorophenyl)methyl]-N-methylcarbamate is sourced from PubChem (CID 115575391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).