2-(2-chloro-4-fluorophenyl)ethyl carbamate

C9H9ClFNO2 — CID 142108290

IUPAC2-(2-chloro-4-fluorophenyl)ethyl carbamate
SMILESNC(=O)OCCc1ccc(F)cc1Cl
InChIInChI=1S/C9H9ClFNO2/c10-8-5-7(11)2-1-6(8)3-4-14-9(12)13/h1-2,5H,3-4H2,(H2,12,13)
InChIKeyZDSNDBOULUOKDC-UHFFFAOYSA-N
MW217.63 g/mol
LogP2.12
Rot. Bonds3

About 2-(2-chloro-4-fluorophenyl)ethyl carbamate

2-(2-chloro-4-fluorophenyl)ethyl carbamate (PubChem CID 142108290) has the molecular formula C9H9ClFNO2 and a molecular weight of 217.63 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)ethyl carbamate.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)ethyl carbamate
PubChem CID142108290
Molecular FormulaC9H9ClFNO2
Molecular Weight217.63 g/mol
Exact Mass217.03
IUPAC Name2-(2-chloro-4-fluorophenyl)ethyl carbamate
SMILESNC(=O)OCCc1ccc(F)cc1Cl
InChIInChI=1S/C9H9ClFNO2/c10-8-5-7(11)2-1-6(8)3-4-14-9(12)13/h1-2,5H,3-4H2,(H2,12,13)
InChIKeyZDSNDBOULUOKDC-UHFFFAOYSA-N
XLogP2.12
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.63
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)ethyl carbamate?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)ethyl carbamate (CID 142108290) is 2-(2-chloro-4-fluorophenyl)ethyl carbamate.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)ethyl carbamate?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)ethyl carbamate is NC(=O)OCCc1ccc(F)cc1Cl.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)ethyl carbamate?
The InChIKey is ZDSNDBOULUOKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFNO2/c10-8-5-7(11)2-1-6(8)3-4-14-9(12)13/h1-2,5H,3-4H2,(H2,12,13).
What are the key properties of 2-(2-chloro-4-fluorophenyl)ethyl carbamate?
2-(2-chloro-4-fluorophenyl)ethyl carbamate has a molecular weight of 217.63 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)ethyl carbamate is sourced from PubChem (CID 142108290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).