2-(2-chloro-6-fluorophenyl)ethyl N-propan-2-ylcarbamate

C12H15ClFNO2 — CID 23548436

IUPAC2-(2-chloro-6-fluorophenyl)ethyl N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)OCCc1c(F)cccc1Cl
InChIInChI=1S/C12H15ClFNO2/c1-8(2)15-12(16)17-7-6-9-10(13)4-3-5-11(9)14/h3-5,8H,6-7H2,1-2H3,(H,15,16)
InChIKeyKWQCVUAHCUIOKD-UHFFFAOYSA-N
MW259.71 g/mol
LogP3.16
Rot. Bonds4

About 2-(2-chloro-6-fluorophenyl)ethyl N-propan-2-ylcarbamate

2-(2-chloro-6-fluorophenyl)ethyl N-propan-2-ylcarbamate (PubChem CID 23548436) has the molecular formula C12H15ClFNO2 and a molecular weight of 259.71 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)ethyl N-propan-2-ylcarbamate.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)ethyl N-propan-2-ylcarbamate
PubChem CID23548436
Molecular FormulaC12H15ClFNO2
Molecular Weight259.71 g/mol
Exact Mass259.08
IUPAC Name2-(2-chloro-6-fluorophenyl)ethyl N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)OCCc1c(F)cccc1Cl
InChIInChI=1S/C12H15ClFNO2/c1-8(2)15-12(16)17-7-6-9-10(13)4-3-5-11(9)14/h3-5,8H,6-7H2,1-2H3,(H,15,16)
InChIKeyKWQCVUAHCUIOKD-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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Related Compounds

2-Oxazolidinone, 5-((2-chlorophenyl)methyl)-
CID 3046889
ethyl N-[2-(2-chloro-6-fluorophenyl)ethyl]carbamate
CID 2804989
2-(2-chlorophenyl)ethyl N-[2-(3-fluorophenyl)ethyl]carbamate
CID 6736788
2-(2-chloro-4-fluorophenyl)ethyl N-propan-2-ylcarbamate
CID 23548434
2-(2-chloro-4-fluorophenyl)ethyl N-methylcarbamate
CID 23548435
2-(2-chloro-6-fluorophenyl)ethyl N-methylcarbamate
CID 23548437
[2-(3-Chloro-4-fluoro-phenyl)-ethyl]-carbamic acid ethyl ester
CID 66801676
[2-(4-Chloro-3-fluoro-phenyl)-ethyl]-carbamic acid ethyl ester
CID 66803927
[(2S,3S)-3-(2-chloro-6-fluorophenyl)-4-methylpentan-2-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 135199490
2-(2-Chloro-4-fluorophenyl)ethyl carbamate
CID 142108290
2-(2-Chloro-6-fluorophenyl)ethyl carbamate
CID 142108337
2-(3,5-difluorophenyl)ethyl N-propan-2-ylcarbamate
CID 142678958

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)ethyl N-propan-2-ylcarbamate?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)ethyl N-propan-2-ylcarbamate (CID 23548436) is 2-(2-chloro-6-fluorophenyl)ethyl N-propan-2-ylcarbamate.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)ethyl N-propan-2-ylcarbamate?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)ethyl N-propan-2-ylcarbamate is CC(C)NC(=O)OCCc1c(F)cccc1Cl.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)ethyl N-propan-2-ylcarbamate?
The InChIKey is KWQCVUAHCUIOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO2/c1-8(2)15-12(16)17-7-6-9-10(13)4-3-5-11(9)14/h3-5,8H,6-7H2,1-2H3,(H,15,16).
What are the key properties of 2-(2-chloro-6-fluorophenyl)ethyl N-propan-2-ylcarbamate?
2-(2-chloro-6-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-6-fluorophenyl)ethyl N-propan-2-ylcarbamate is sourced from PubChem (CID 23548436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).