tert-butyl N-[2-(4-bromo-2-fluorophenyl)propan-2-yl]carbamate

C14H19BrFNO2 — CID 18183234

IUPACtert-butyl N-[2-(4-bromo-2-fluorophenyl)propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(C)(C)c1ccc(Br)cc1F
InChIInChI=1S/C14H19BrFNO2/c1-13(2,3)19-12(18)17-14(4,5)10-7-6-9(15)8-11(10)16/h6-8H,1-5H3,(H,17,18)
InChIKeyJXFGCKICKJTRLE-UHFFFAOYSA-N
MW332.21 g/mol
LogP4.35
Rot. Bonds2

About tert-butyl N-[2-(4-bromo-2-fluorophenyl)propan-2-yl]carbamate

tert-butyl N-[2-(4-bromo-2-fluorophenyl)propan-2-yl]carbamate (PubChem CID 18183234) has the molecular formula C14H19BrFNO2 and a molecular weight of 332.21 g/mol. Its IUPAC name is tert-butyl N-[2-(4-bromo-2-fluorophenyl)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(4-bromo-2-fluorophenyl)propan-2-yl]carbamate
PubChem CID18183234
Molecular FormulaC14H19BrFNO2
Molecular Weight332.21 g/mol
Exact Mass331.06
IUPAC Nametert-butyl N-[2-(4-bromo-2-fluorophenyl)propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(C)(C)c1ccc(Br)cc1F
InChIInChI=1S/C14H19BrFNO2/c1-13(2,3)19-12(18)17-14(4,5)10-7-6-9(15)8-11(10)16/h6-8H,1-5H3,(H,17,18)
InChIKeyJXFGCKICKJTRLE-UHFFFAOYSA-N
XLogP4.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.21
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[(4-bromophenyl)methyl]carbamate
CID 12453839
tert-butyl N-(1-(4-bromophenyl)ethyl)carbamate
CID 11983730
tert-Butyl (1-(4-bromophenyl)cyclobutyl)carbamate
CID 52988051
[2-(4-Bromo-phenyl)ethyl]-carbamic acid tert-butyl ester
CID 14221818
tert-butyl N-((5-bromo-2-fluorophenyl)methyl)carbamate
CID 22337036
N-(2-(4-Bromophenyl)propan-2-YL)acetamide
CID 39616691
(R)-tert-Butyl (1-(4-bromophenyl)ethyl)carbamate
CID 52987808
(S)-tert-Butyl (1-(4-bromophenyl)ethyl)carbamate
CID 56973617
tert-butyl N-[(5-bromo-2-methylphenyl)methyl]carbamate
CID 57813315
tert-butyl N-[(1s,3s)-1-(4-bromophenyl)-3-hydroxycyclobutyl]carbamate
CID 58229876
Tert-butyl 4-bromo-2-fluorobenzylcarbamate
CID 53432589
tert-Butyl (4-bromo-2,6-difluorobenzyl)carbamate
CID 124124348

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(4-bromo-2-fluorophenyl)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[2-(4-bromo-2-fluorophenyl)propan-2-yl]carbamate (CID 18183234) is tert-butyl N-[2-(4-bromo-2-fluorophenyl)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(4-bromo-2-fluorophenyl)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-(4-bromo-2-fluorophenyl)propan-2-yl]carbamate is CC(C)(C)OC(=O)NC(C)(C)c1ccc(Br)cc1F.
What is the InChIKey of tert-butyl N-[2-(4-bromo-2-fluorophenyl)propan-2-yl]carbamate?
The InChIKey is JXFGCKICKJTRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFNO2/c1-13(2,3)19-12(18)17-14(4,5)10-7-6-9(15)8-11(10)16/h6-8H,1-5H3,(H,17,18).
What are the key properties of tert-butyl N-[2-(4-bromo-2-fluorophenyl)propan-2-yl]carbamate?
tert-butyl N-[2-(4-bromo-2-fluorophenyl)propan-2-yl]carbamate has a molecular weight of 332.21 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(4-bromo-2-fluorophenyl)propan-2-yl]carbamate is sourced from PubChem (CID 18183234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).