(5-bromo-4-chloro-2-fluorophenyl) N-tert-butylcarbamate

C11H12BrClFNO2 — CID 175573309

IUPAC(5-bromo-4-chloro-2-fluorophenyl) N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)Oc1cc(Br)c(Cl)cc1F
InChIInChI=1S/C11H12BrClFNO2/c1-11(2,3)15-10(16)17-9-4-6(12)7(13)5-8(9)14/h4-5H,1-3H3,(H,15,16)
InChIKeySQOOONFTSKXDRH-UHFFFAOYSA-N
MW324.58 g/mol
LogP4.13
Rot. Bonds1

About (5-bromo-4-chloro-2-fluorophenyl) N-tert-butylcarbamate

(5-bromo-4-chloro-2-fluorophenyl) N-tert-butylcarbamate (PubChem CID 175573309) has the molecular formula C11H12BrClFNO2 and a molecular weight of 324.58 g/mol. Its IUPAC name is (5-bromo-4-chloro-2-fluorophenyl) N-tert-butylcarbamate.

Molecular Properties

Compound Name(5-bromo-4-chloro-2-fluorophenyl) N-tert-butylcarbamate
PubChem CID175573309
Molecular FormulaC11H12BrClFNO2
Molecular Weight324.58 g/mol
Exact Mass322.97
IUPAC Name(5-bromo-4-chloro-2-fluorophenyl) N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)Oc1cc(Br)c(Cl)cc1F
InChIInChI=1S/C11H12BrClFNO2/c1-11(2,3)15-10(16)17-9-4-6(12)7(13)5-8(9)14/h4-5H,1-3H3,(H,15,16)
InChIKeySQOOONFTSKXDRH-UHFFFAOYSA-N
XLogP4.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.58
LogP ≤ 54.13
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

(2,4,5-trifluorophenyl) N-tert-butylcarbamate
CID 127550277
[5-bromo-2-chloro-4-(4-chlorobenzoyl)phenyl] N-tert-butylcarbamate
CID 139484786
(3-bromo-2,6-difluorophenyl) N-tert-butylcarbamate
CID 174652511
(5-bromo-2-chloro-4-fluorophenyl) methyl carbonate
CID 54379718
(3-chloro-2-methylphenyl) N-tert-butylcarbamate
CID 174536414
(5-acetyl-4-fluoro-2-methylphenyl) N-tert-butylcarbamate
CID 174637088
(3,5-dichlorophenyl) N-tert-butylcarbamate
CID 174575887
(5-bromo-2,4-dichlorophenyl) acetate
CID 70269521
(4-fluoro-2-nitrophenyl) N-tert-butylcarbamate
CID 174510281
phenyl N-(5-bromo-4-chloro-2-fluorophenyl)carbamate
CID 166590808
1-bromo-2-chloro-4,5-difluorobenzene
CID 2773255
[2-amino-4-chloro-5-[ethyl(methyl)amino]phenyl] N-tert-butylcarbamate
CID 174407189

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-chloro-2-fluorophenyl) N-tert-butylcarbamate?
The IUPAC name of (5-bromo-4-chloro-2-fluorophenyl) N-tert-butylcarbamate (CID 175573309) is (5-bromo-4-chloro-2-fluorophenyl) N-tert-butylcarbamate.
What is the SMILES notation for (5-bromo-4-chloro-2-fluorophenyl) N-tert-butylcarbamate?
The canonical SMILES for (5-bromo-4-chloro-2-fluorophenyl) N-tert-butylcarbamate is CC(C)(C)NC(=O)Oc1cc(Br)c(Cl)cc1F.
What is the InChIKey of (5-bromo-4-chloro-2-fluorophenyl) N-tert-butylcarbamate?
The InChIKey is SQOOONFTSKXDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClFNO2/c1-11(2,3)15-10(16)17-9-4-6(12)7(13)5-8(9)14/h4-5H,1-3H3,(H,15,16).
What are the key properties of (5-bromo-4-chloro-2-fluorophenyl) N-tert-butylcarbamate?
(5-bromo-4-chloro-2-fluorophenyl) N-tert-butylcarbamate has a molecular weight of 324.58 g/mol, XLogP of 4.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-chloro-2-fluorophenyl) N-tert-butylcarbamate is sourced from PubChem (CID 175573309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).