1-chloropropan-2-yl N-(2,4-difluorophenyl)carbamate

C10H10ClF2NO2 — CID 107896058

IUPAC1-chloropropan-2-yl N-(2,4-difluorophenyl)carbamate
SMILESCC(CCl)OC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C10H10ClF2NO2/c1-6(5-11)16-10(15)14-9-3-2-7(12)4-8(9)13/h2-4,6H,5H2,1H3,(H,14,15)
InChIKeyAYBWERBQXORUFS-UHFFFAOYSA-N
MW249.64 g/mol
LogP3.14
Rot. Bonds3

About 1-chloropropan-2-yl N-(2,4-difluorophenyl)carbamate

1-chloropropan-2-yl N-(2,4-difluorophenyl)carbamate (PubChem CID 107896058) has the molecular formula C10H10ClF2NO2 and a molecular weight of 249.64 g/mol. Its IUPAC name is 1-chloropropan-2-yl N-(2,4-difluorophenyl)carbamate.

Molecular Properties

Compound Name1-chloropropan-2-yl N-(2,4-difluorophenyl)carbamate
PubChem CID107896058
Molecular FormulaC10H10ClF2NO2
Molecular Weight249.64 g/mol
Exact Mass249.04
IUPAC Name1-chloropropan-2-yl N-(2,4-difluorophenyl)carbamate
SMILESCC(CCl)OC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C10H10ClF2NO2/c1-6(5-11)16-10(15)14-9-3-2-7(12)4-8(9)13/h2-4,6H,5H2,1H3,(H,14,15)
InChIKeyAYBWERBQXORUFS-UHFFFAOYSA-N
XLogP3.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.64
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]-3-methylbutan-2-yl] N-(2,4-difluorophenyl)carbamate
CID 44589701
N-(2,4-difluorophenyl)-2-methylpentanamide
CID 2904798
[(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]butan-2-yl] N-(2,4-difluorophenyl)carbamate
CID 44589662
2-(2-chloroethoxy)ethyl N-(2,4-difluorophenyl)carbamate
CID 113360062
cyclopentyl N-(2,4-difluorophenyl)carbamate
CID 113218545
4-(2,4-difluoroanilino)-2-methyl-4-oxobutanoic acid
CID 115164947
2-(ethylamino)ethyl N-(2,4-difluorophenyl)carbamate
CID 79337416
1-(4-amino-3-methylbutan-2-yl)-3-(2,4-difluorophenyl)urea
CID 113485155
1-(2,4-difluorophenyl)-3-(2-fluoro-4-propan-2-ylphenyl)urea
CID 146780735
1-(2,4-difluorophenyl)-3-(4-hydroxybutan-2-yl)urea
CID 78998254
2-amino-N-(2,4-difluorophenyl)butanamide
CID 43649437
2-[(2,4-difluorophenyl)carbamoylamino]propanoic acid
CID 43288482

Frequently Asked Questions

What is the IUPAC name of 1-chloropropan-2-yl N-(2,4-difluorophenyl)carbamate?
The IUPAC name of 1-chloropropan-2-yl N-(2,4-difluorophenyl)carbamate (CID 107896058) is 1-chloropropan-2-yl N-(2,4-difluorophenyl)carbamate.
What is the SMILES notation for 1-chloropropan-2-yl N-(2,4-difluorophenyl)carbamate?
The canonical SMILES for 1-chloropropan-2-yl N-(2,4-difluorophenyl)carbamate is CC(CCl)OC(=O)Nc1ccc(F)cc1F.
What is the InChIKey of 1-chloropropan-2-yl N-(2,4-difluorophenyl)carbamate?
The InChIKey is AYBWERBQXORUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF2NO2/c1-6(5-11)16-10(15)14-9-3-2-7(12)4-8(9)13/h2-4,6H,5H2,1H3,(H,14,15).
What are the key properties of 1-chloropropan-2-yl N-(2,4-difluorophenyl)carbamate?
1-chloropropan-2-yl N-(2,4-difluorophenyl)carbamate has a molecular weight of 249.64 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloropropan-2-yl N-(2,4-difluorophenyl)carbamate is sourced from PubChem (CID 107896058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).