tert-butyl N-(5-chloro-2,4-difluorophenyl)carbamate

C11H12ClF2NO2 — CID 131118705

IUPACtert-butyl N-(5-chloro-2,4-difluorophenyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(Cl)c(F)cc1F
InChIInChI=1S/C11H12ClF2NO2/c1-11(2,3)17-10(16)15-9-4-6(12)7(13)5-8(9)14/h4-5H,1-3H3,(H,15,16)
InChIKeyMIXIOGNUIUZEBP-UHFFFAOYSA-N
MW263.67 g/mol
LogP3.97
Rot. Bonds1

About tert-butyl N-(5-chloro-2,4-difluorophenyl)carbamate

tert-butyl N-(5-chloro-2,4-difluorophenyl)carbamate (PubChem CID 131118705) has the molecular formula C11H12ClF2NO2 and a molecular weight of 263.67 g/mol. Its IUPAC name is tert-butyl N-(5-chloro-2,4-difluorophenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-chloro-2,4-difluorophenyl)carbamate
PubChem CID131118705
Molecular FormulaC11H12ClF2NO2
Molecular Weight263.67 g/mol
Exact Mass263.05
IUPAC Nametert-butyl N-(5-chloro-2,4-difluorophenyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(Cl)c(F)cc1F
InChIInChI=1S/C11H12ClF2NO2/c1-11(2,3)17-10(16)15-9-4-6(12)7(13)5-8(9)14/h4-5H,1-3H3,(H,15,16)
InChIKeyMIXIOGNUIUZEBP-UHFFFAOYSA-N
XLogP3.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.67
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(2-bromo-5-chloro-4-fluorophenyl)carbamate
CID 69110389
tert-butyl N-(5-chloro-4-cyano-2-fluorophenyl)carbamate
CID 162439866
tert-butyl N-(2-chloro-4-fluoro-5-methylphenyl)carbamate
CID 130520747
tert-butyl N-(2,5-difluoro-4-formylphenyl)carbamate
CID 84805525
2,5-difluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
CID 122204937
tert-butyl N-(2,5-dichlorophenyl)carbamate
CID 4935502
tert-butyl N-(2,5-difluorophenyl)carbamate
CID 14690685
tert-butyl N-(2-chloro-4-fluoro-5-formylphenyl)carbamate
CID 84810121
tert-butyl N-(2,3-dichloro-4-fluorophenyl)carbamate
CID 68582591
tert-butyl N-(2-fluoro-4-hydroxy-5-methoxyphenyl)carbamate
CID 133080787
tert-butyl N-(4-bromo-2-fluorophenyl)carbamate
CID 22736228
tert-butyl N-[4-(difluoromethoxy)-2,5-difluorophenyl]carbamate
CID 177334338

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-chloro-2,4-difluorophenyl)carbamate?
The IUPAC name of tert-butyl N-(5-chloro-2,4-difluorophenyl)carbamate (CID 131118705) is tert-butyl N-(5-chloro-2,4-difluorophenyl)carbamate.
What is the SMILES notation for tert-butyl N-(5-chloro-2,4-difluorophenyl)carbamate?
The canonical SMILES for tert-butyl N-(5-chloro-2,4-difluorophenyl)carbamate is CC(C)(C)OC(=O)Nc1cc(Cl)c(F)cc1F.
What is the InChIKey of tert-butyl N-(5-chloro-2,4-difluorophenyl)carbamate?
The InChIKey is MIXIOGNUIUZEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF2NO2/c1-11(2,3)17-10(16)15-9-4-6(12)7(13)5-8(9)14/h4-5H,1-3H3,(H,15,16).
What are the key properties of tert-butyl N-(5-chloro-2,4-difluorophenyl)carbamate?
tert-butyl N-(5-chloro-2,4-difluorophenyl)carbamate has a molecular weight of 263.67 g/mol, XLogP of 3.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-chloro-2,4-difluorophenyl)carbamate is sourced from PubChem (CID 131118705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).