1-bromo-3-tert-butyl-5-(difluoromethoxy)benzene

C11H13BrF2O — CID 164739424

IUPAC1-bromo-3-tert-butyl-5-(difluoromethoxy)benzene
SMILESCC(C)(C)c1cc(Br)cc(OC(F)F)c1
InChIInChI=1S/C11H13BrF2O/c1-11(2,3)7-4-8(12)6-9(5-7)15-10(13)14/h4-6,10H,1-3H3
InChIKeyGPLZYJISFLZCPN-UHFFFAOYSA-N
MW279.12 g/mol
LogP4.35
Rot. Bonds2

About 1-bromo-3-tert-butyl-5-(difluoromethoxy)benzene

1-bromo-3-tert-butyl-5-(difluoromethoxy)benzene (PubChem CID 164739424) has the molecular formula C11H13BrF2O and a molecular weight of 279.12 g/mol. Its IUPAC name is 1-bromo-3-tert-butyl-5-(difluoromethoxy)benzene.

Molecular Properties

Compound Name1-bromo-3-tert-butyl-5-(difluoromethoxy)benzene
PubChem CID164739424
Molecular FormulaC11H13BrF2O
Molecular Weight279.12 g/mol
Exact Mass278.01
IUPAC Name1-bromo-3-tert-butyl-5-(difluoromethoxy)benzene
SMILESCC(C)(C)c1cc(Br)cc(OC(F)F)c1
InChIInChI=1S/C11H13BrF2O/c1-11(2,3)7-4-8(12)6-9(5-7)15-10(13)14/h4-6,10H,1-3H3
InChIKeyGPLZYJISFLZCPN-UHFFFAOYSA-N
XLogP4.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.12
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-3-(difluoromethoxy)-5-(trifluoromethyl)benzene
CID 75365408
3-bromo-5-(difluoromethoxy)benzenethiol
CID 121227931
1-bromo-3-(difluoromethoxy)-5-methylsulfanylbenzene
CID 121227926
4-[3-tert-butyl-5-(difluoromethoxy)phenyl]butan-1-amine
CID 70646175
2-bromo-1-[3-bromo-5-(difluoromethoxy)phenyl]propan-1-one
CID 118832442
N-[3-bromo-5-(difluoromethoxy)phenyl]formamide
CID 168653986
1,3-dibromo-5-propan-2-yloxybenzene
CID 50998234
2-bromo-1,3-dichloro-5-(difluoromethoxy)benzene
CID 171032891
[3-bromo-5-(difluoromethoxy)phenyl]thiourea
CID 169357367
1-(difluoromethoxy)-3,5-dimethylbenzene;ethane
CID 144663718
1-bromo-3-(2-methylpropoxy)-5-(trifluoromethyl)benzene
CID 169336642
[3-bromo-5-(trifluoromethyl)phenoxy]-trimethylsilane
CID 167715732

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-tert-butyl-5-(difluoromethoxy)benzene?
The IUPAC name of 1-bromo-3-tert-butyl-5-(difluoromethoxy)benzene (CID 164739424) is 1-bromo-3-tert-butyl-5-(difluoromethoxy)benzene.
What is the SMILES notation for 1-bromo-3-tert-butyl-5-(difluoromethoxy)benzene?
The canonical SMILES for 1-bromo-3-tert-butyl-5-(difluoromethoxy)benzene is CC(C)(C)c1cc(Br)cc(OC(F)F)c1.
What is the InChIKey of 1-bromo-3-tert-butyl-5-(difluoromethoxy)benzene?
The InChIKey is GPLZYJISFLZCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF2O/c1-11(2,3)7-4-8(12)6-9(5-7)15-10(13)14/h4-6,10H,1-3H3.
What are the key properties of 1-bromo-3-tert-butyl-5-(difluoromethoxy)benzene?
1-bromo-3-tert-butyl-5-(difluoromethoxy)benzene has a molecular weight of 279.12 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-tert-butyl-5-(difluoromethoxy)benzene is sourced from PubChem (CID 164739424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).