(4-fluorophenyl)methyl N-ethylcarbamate

C10H12FNO2 — CID 27276366

IUPAC(4-fluorophenyl)methyl N-ethylcarbamate
SMILESCCNC(=O)OCc1ccc(F)cc1
InChIInChI=1S/C10H12FNO2/c1-2-12-10(13)14-7-8-3-5-9(11)6-4-8/h3-6H,2,7H2,1H3,(H,12,13)
InChIKeyXTHFHZDADQPUKS-UHFFFAOYSA-N
MW197.21 g/mol
LogP2.07
Rot. Bonds3

About (4-fluorophenyl)methyl N-ethylcarbamate

(4-fluorophenyl)methyl N-ethylcarbamate (PubChem CID 27276366) has the molecular formula C10H12FNO2 and a molecular weight of 197.21 g/mol. Its IUPAC name is (4-fluorophenyl)methyl N-ethylcarbamate.

Molecular Properties

Compound Name(4-fluorophenyl)methyl N-ethylcarbamate
PubChem CID27276366
Molecular FormulaC10H12FNO2
Molecular Weight197.21 g/mol
Exact Mass197.09
IUPAC Name(4-fluorophenyl)methyl N-ethylcarbamate
SMILESCCNC(=O)OCc1ccc(F)cc1
InChIInChI=1S/C10H12FNO2/c1-2-12-10(13)14-7-8-3-5-9(11)6-4-8/h3-6H,2,7H2,1H3,(H,12,13)
InChIKeyXTHFHZDADQPUKS-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)methyl N-ethylcarbamate?
The IUPAC name of (4-fluorophenyl)methyl N-ethylcarbamate (CID 27276366) is (4-fluorophenyl)methyl N-ethylcarbamate.
What is the SMILES notation for (4-fluorophenyl)methyl N-ethylcarbamate?
The canonical SMILES for (4-fluorophenyl)methyl N-ethylcarbamate is CCNC(=O)OCc1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl)methyl N-ethylcarbamate?
The InChIKey is XTHFHZDADQPUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2/c1-2-12-10(13)14-7-8-3-5-9(11)6-4-8/h3-6H,2,7H2,1H3,(H,12,13).
What are the key properties of (4-fluorophenyl)methyl N-ethylcarbamate?
(4-fluorophenyl)methyl N-ethylcarbamate has a molecular weight of 197.21 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)methyl N-ethylcarbamate is sourced from PubChem (CID 27276366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).