2-(2-chloro-4-fluorophenyl)ethyl N-propan-2-ylcarbamate

C12H15ClFNO2 — CID 23548434

IUPAC2-(2-chloro-4-fluorophenyl)ethyl N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)OCCc1ccc(F)cc1Cl
InChIInChI=1S/C12H15ClFNO2/c1-8(2)15-12(16)17-6-5-9-3-4-10(14)7-11(9)13/h3-4,7-8H,5-6H2,1-2H3,(H,15,16)
InChIKeyFPXFWMUQZCZPOY-UHFFFAOYSA-N
MW259.71 g/mol
LogP3.16
Rot. Bonds4

About 2-(2-chloro-4-fluorophenyl)ethyl N-propan-2-ylcarbamate

2-(2-chloro-4-fluorophenyl)ethyl N-propan-2-ylcarbamate (PubChem CID 23548434) has the molecular formula C12H15ClFNO2 and a molecular weight of 259.71 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)ethyl N-propan-2-ylcarbamate.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)ethyl N-propan-2-ylcarbamate
PubChem CID23548434
Molecular FormulaC12H15ClFNO2
Molecular Weight259.71 g/mol
Exact Mass259.08
IUPAC Name2-(2-chloro-4-fluorophenyl)ethyl N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)OCCc1ccc(F)cc1Cl
InChIInChI=1S/C12H15ClFNO2/c1-8(2)15-12(16)17-6-5-9-3-4-10(14)7-11(9)13/h3-4,7-8H,5-6H2,1-2H3,(H,15,16)
InChIKeyFPXFWMUQZCZPOY-UHFFFAOYSA-N
XLogP3.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.71
LogP ≤ 53.16
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 N-propan-2-ylcarbamate?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)ethyl N-propan-2-ylcarbamate (CID 23548434) is 2-(2-chloro-4-fluorophenyl)ethyl N-propan-2-ylcarbamate.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)ethyl N-propan-2-ylcarbamate?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)ethyl N-propan-2-ylcarbamate is CC(C)NC(=O)OCCc1ccc(F)cc1Cl.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)ethyl N-propan-2-ylcarbamate?
The InChIKey is FPXFWMUQZCZPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO2/c1-8(2)15-12(16)17-6-5-9-3-4-10(14)7-11(9)13/h3-4,7-8H,5-6H2,1-2H3,(H,15,16).
What are the key properties of 2-(2-chloro-4-fluorophenyl)ethyl N-propan-2-ylcarbamate?
2-(2-chloro-4-fluorophenyl)ethyl N-propan-2-ylcarbamate has a molecular weight of 259.71 g/mol, XLogP of 3.16, 4 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 N-propan-2-ylcarbamate is sourced from PubChem (CID 23548434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).