2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl carbamate

C10H11ClFNO2S — CID 70141275

IUPAC2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl carbamate
SMILESNC(=O)OCCSCc1c(F)cccc1Cl
InChIInChI=1S/C10H11ClFNO2S/c11-8-2-1-3-9(12)7(8)6-16-5-4-15-10(13)14/h1-3H,4-6H2,(H2,13,14)
InChIKeyFJMMWRNYCDYZGL-UHFFFAOYSA-N
MW263.72 g/mol
LogP2.81
Rot. Bonds5

About 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl carbamate

2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl carbamate (PubChem CID 70141275) has the molecular formula C10H11ClFNO2S and a molecular weight of 263.72 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl carbamate.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl carbamate
PubChem CID70141275
Molecular FormulaC10H11ClFNO2S
Molecular Weight263.72 g/mol
Exact Mass263.02
IUPAC Name2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl carbamate
SMILESNC(=O)OCCSCc1c(F)cccc1Cl
InChIInChI=1S/C10H11ClFNO2S/c11-8-2-1-3-9(12)7(8)6-16-5-4-15-10(13)14/h1-3H,4-6H2,(H2,13,14)
InChIKeyFJMMWRNYCDYZGL-UHFFFAOYSA-N
XLogP2.81
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.72
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl carbamate?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl carbamate (CID 70141275) is 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl carbamate.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl carbamate?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl carbamate is NC(=O)OCCSCc1c(F)cccc1Cl.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl carbamate?
The InChIKey is FJMMWRNYCDYZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO2S/c11-8-2-1-3-9(12)7(8)6-16-5-4-15-10(13)14/h1-3H,4-6H2,(H2,13,14).
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl carbamate?
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl carbamate has a molecular weight of 263.72 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl carbamate is sourced from PubChem (CID 70141275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).