1-(2,6-difluorophenyl)ethyl N-propan-2-ylcarbamate

C12H15F2NO2 — CID 23548320

IUPAC1-(2,6-difluorophenyl)ethyl N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)OC(C)c1c(F)cccc1F
InChIInChI=1S/C12H15F2NO2/c1-7(2)15-12(16)17-8(3)11-9(13)5-4-6-10(11)14/h4-8H,1-3H3,(H,15,16)
InChIKeyQOTSBWQTDUUBGV-UHFFFAOYSA-N
MW243.25 g/mol
LogP3.16
Rot. Bonds3

About 1-(2,6-difluorophenyl)ethyl N-propan-2-ylcarbamate

1-(2,6-difluorophenyl)ethyl N-propan-2-ylcarbamate (PubChem CID 23548320) has the molecular formula C12H15F2NO2 and a molecular weight of 243.25 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)ethyl N-propan-2-ylcarbamate.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)ethyl N-propan-2-ylcarbamate
PubChem CID23548320
Molecular FormulaC12H15F2NO2
Molecular Weight243.25 g/mol
Exact Mass243.11
IUPAC Name1-(2,6-difluorophenyl)ethyl N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)OC(C)c1c(F)cccc1F
InChIInChI=1S/C12H15F2NO2/c1-7(2)15-12(16)17-8(3)11-9(13)5-4-6-10(11)14/h4-8H,1-3H3,(H,15,16)
InChIKeyQOTSBWQTDUUBGV-UHFFFAOYSA-N
XLogP3.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Benzyl (2-oxopropyl)carbamate
CID 22747857
Benzyl Cyanomethylcarbamate
CID 244143
benzyl N-(2-hydroxyethyl)carbamate
CID 280458
benzyl N-methylcarbamate
CID 562265
benzyl N-((2S)-1-hydroxybutan-2-yl)carbamate
CID 10263004
Methyl 3-([(benzyloxy)carbonyl]amino)propanoate
CID 376763
benzyl N-(2-bromoethyl)carbamate
CID 278694
benzyl N-(3-aminopropyl)carbamate hydrochloride
CID 13196227
N-Carbobenzoxy-1,6-diaminohexane Hydrochloride
CID 13196229
Benzyl N-(3-hydroxypropyl)carbamate
CID 562256
benzyl N-(prop-2-en-1-yl)carbamate
CID 562279
4-Methyl-5-phenyl-2-oxazolidinone, (4S,5R)-
CID 853161

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)ethyl N-propan-2-ylcarbamate?
The IUPAC name of 1-(2,6-difluorophenyl)ethyl N-propan-2-ylcarbamate (CID 23548320) is 1-(2,6-difluorophenyl)ethyl N-propan-2-ylcarbamate.
What is the SMILES notation for 1-(2,6-difluorophenyl)ethyl N-propan-2-ylcarbamate?
The canonical SMILES for 1-(2,6-difluorophenyl)ethyl N-propan-2-ylcarbamate is CC(C)NC(=O)OC(C)c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)ethyl N-propan-2-ylcarbamate?
The InChIKey is QOTSBWQTDUUBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO2/c1-7(2)15-12(16)17-8(3)11-9(13)5-4-6-10(11)14/h4-8H,1-3H3,(H,15,16).
What are the key properties of 1-(2,6-difluorophenyl)ethyl N-propan-2-ylcarbamate?
1-(2,6-difluorophenyl)ethyl N-propan-2-ylcarbamate has a molecular weight of 243.25 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)ethyl N-propan-2-ylcarbamate is sourced from PubChem (CID 23548320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).