2-(4-fluorophenyl)ethyl N-methylcarbamate

C10H12FNO2 — CID 127530181

IUPAC2-(4-fluorophenyl)ethyl N-methylcarbamate
SMILESCNC(=O)OCCc1ccc(F)cc1
InChIInChI=1S/C10H12FNO2/c1-12-10(13)14-7-6-8-2-4-9(11)5-3-8/h2-5H,6-7H2,1H3,(H,12,13)
InChIKeyJQXGBEAAUQGLLT-UHFFFAOYSA-N
MW197.21 g/mol
LogP1.72
Rot. Bonds3

About 2-(4-fluorophenyl)ethyl N-methylcarbamate

2-(4-fluorophenyl)ethyl N-methylcarbamate (PubChem CID 127530181) has the molecular formula C10H12FNO2 and a molecular weight of 197.21 g/mol. Its IUPAC name is 2-(4-fluorophenyl)ethyl N-methylcarbamate.

Molecular Properties

Compound Name2-(4-fluorophenyl)ethyl N-methylcarbamate
PubChem CID127530181
Molecular FormulaC10H12FNO2
Molecular Weight197.21 g/mol
Exact Mass197.09
IUPAC Name2-(4-fluorophenyl)ethyl N-methylcarbamate
SMILESCNC(=O)OCCc1ccc(F)cc1
InChIInChI=1S/C10H12FNO2/c1-12-10(13)14-7-6-8-2-4-9(11)5-3-8/h2-5H,6-7H2,1H3,(H,12,13)
InChIKeyJQXGBEAAUQGLLT-UHFFFAOYSA-N
XLogP1.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Phenprobamate
CID 4770
benzyl N-methylcarbamate
CID 562265
Phenethyl carbamate
CID 233105
Benzeneethanol, beta-ethyl-, 1-carbamate
CID 59898507
Fluorofelbamate
CID 6918615
Betaquil
CID 12825
Carbamic acid, methyl-, 3-phenylpropyl ester
CID 56203
Carbamic acid, isopropyl-, 3-phenylpropyl ester
CID 56352
Carbamic acid, propyl-, 3-phenylpropyl ester
CID 56353
Phenylmethyl N-[(1-methylethoxy)methyl]carbamate
CID 42614401
Carbamic acid, dimethyl-, 3-phenylpropyl ester
CID 56269
Carbamic acid, (2-(diethylamino)ethyl)-, phenethyl ester, monohydrochloride
CID 58443

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)ethyl N-methylcarbamate?
The IUPAC name of 2-(4-fluorophenyl)ethyl N-methylcarbamate (CID 127530181) is 2-(4-fluorophenyl)ethyl N-methylcarbamate.
What is the SMILES notation for 2-(4-fluorophenyl)ethyl N-methylcarbamate?
The canonical SMILES for 2-(4-fluorophenyl)ethyl N-methylcarbamate is CNC(=O)OCCc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)ethyl N-methylcarbamate?
The InChIKey is JQXGBEAAUQGLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2/c1-12-10(13)14-7-6-8-2-4-9(11)5-3-8/h2-5H,6-7H2,1H3,(H,12,13).
What are the key properties of 2-(4-fluorophenyl)ethyl N-methylcarbamate?
2-(4-fluorophenyl)ethyl N-methylcarbamate has a molecular weight of 197.21 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)ethyl N-methylcarbamate is sourced from PubChem (CID 127530181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).