(5-bromo-3-tert-butyl-2-fluoro-4-methoxyphenyl) carbamate

C12H15BrFNO3 — CID 175557467

IUPAC(5-bromo-3-tert-butyl-2-fluoro-4-methoxyphenyl) carbamate
SMILESCOc1c(Br)cc(OC(N)=O)c(F)c1C(C)(C)C
InChIInChI=1S/C12H15BrFNO3/c1-12(2,3)8-9(14)7(18-11(15)16)5-6(13)10(8)17-4/h5H,1-4H3,(H2,15,16)
InChIKeyMPYFEFLDYZXNEH-UHFFFAOYSA-N
MW320.16 g/mol
LogP3.35
Rot. Bonds2

About (5-bromo-3-tert-butyl-2-fluoro-4-methoxyphenyl) carbamate

(5-bromo-3-tert-butyl-2-fluoro-4-methoxyphenyl) carbamate (PubChem CID 175557467) has the molecular formula C12H15BrFNO3 and a molecular weight of 320.16 g/mol. Its IUPAC name is (5-bromo-3-tert-butyl-2-fluoro-4-methoxyphenyl) carbamate.

Molecular Properties

Compound Name(5-bromo-3-tert-butyl-2-fluoro-4-methoxyphenyl) carbamate
PubChem CID175557467
Molecular FormulaC12H15BrFNO3
Molecular Weight320.16 g/mol
Exact Mass319.02
IUPAC Name(5-bromo-3-tert-butyl-2-fluoro-4-methoxyphenyl) carbamate
SMILESCOc1c(Br)cc(OC(N)=O)c(F)c1C(C)(C)C
InChIInChI=1S/C12H15BrFNO3/c1-12(2,3)8-9(14)7(18-11(15)16)5-6(13)10(8)17-4/h5H,1-4H3,(H2,15,16)
InChIKeyMPYFEFLDYZXNEH-UHFFFAOYSA-N
XLogP3.35
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.16
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-2-tert-butylphenyl) carbamate
CID 153406266
2-(3-bromo-2-fluoro-5,6-dimethoxyphenyl)propan-2-ol
CID 117473013
(5-tert-butyl-3-dimethylphosphoryl-2-methoxyphenyl) carbamate
CID 152515501
2-(5-bromo-2,3-difluoro-6-methoxyphenyl)-2-methylpropan-1-ol
CID 117475631
6-amino-4-bromo-2-fluoro-3-methoxyphenol
CID 84797950
4-(2-aminopropan-2-yl)-5-bromo-3-fluoro-2-methoxyphenol
CID 117445518
1-(5-bromo-3-fluoro-2,4-dimethoxyphenyl)ethanone
CID 84714598
2-(5-bromo-2,3-difluoro-4-methoxyphenyl)propan-2-ol
CID 84715078
3-bromo-4,5-dimethoxybenzamide
CID 900808
(4-bromo-2-tert-butyl-3,5-difluorophenyl)methyl carbamate
CID 168786065
[3-bromo-6-(bromomethyl)-2-fluorophenyl] carbamate
CID 151805451
[4-(3-amino-7-fluoro-1H-indazol-6-yl)-3-tert-butyl-2-fluorophenyl] carbamate
CID 152507716

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-tert-butyl-2-fluoro-4-methoxyphenyl) carbamate?
The IUPAC name of (5-bromo-3-tert-butyl-2-fluoro-4-methoxyphenyl) carbamate (CID 175557467) is (5-bromo-3-tert-butyl-2-fluoro-4-methoxyphenyl) carbamate.
What is the SMILES notation for (5-bromo-3-tert-butyl-2-fluoro-4-methoxyphenyl) carbamate?
The canonical SMILES for (5-bromo-3-tert-butyl-2-fluoro-4-methoxyphenyl) carbamate is COc1c(Br)cc(OC(N)=O)c(F)c1C(C)(C)C.
What is the InChIKey of (5-bromo-3-tert-butyl-2-fluoro-4-methoxyphenyl) carbamate?
The InChIKey is MPYFEFLDYZXNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO3/c1-12(2,3)8-9(14)7(18-11(15)16)5-6(13)10(8)17-4/h5H,1-4H3,(H2,15,16).
What are the key properties of (5-bromo-3-tert-butyl-2-fluoro-4-methoxyphenyl) carbamate?
(5-bromo-3-tert-butyl-2-fluoro-4-methoxyphenyl) carbamate has a molecular weight of 320.16 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-tert-butyl-2-fluoro-4-methoxyphenyl) carbamate is sourced from PubChem (CID 175557467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).