1-bromo-3-(difluoromethoxy)-5-(trifluoromethyl)benzene

C8H4BrF5O — CID 75365408

IUPAC1-bromo-3-(difluoromethoxy)-5-(trifluoromethyl)benzene
SMILESFC(F)Oc1cc(Br)cc(C(F)(F)F)c1
InChIInChI=1S/C8H4BrF5O/c9-5-1-4(8(12,13)14)2-6(3-5)15-7(10)11/h1-3,7H
InChIKeyBZRTUDRFAMWDKM-UHFFFAOYSA-N
MW291.01 g/mol
LogP4.07
Rot. Bonds2

About 1-bromo-3-(difluoromethoxy)-5-(trifluoromethyl)benzene

1-bromo-3-(difluoromethoxy)-5-(trifluoromethyl)benzene (PubChem CID 75365408) has the molecular formula C8H4BrF5O and a molecular weight of 291.01 g/mol. Its IUPAC name is 1-bromo-3-(difluoromethoxy)-5-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-bromo-3-(difluoromethoxy)-5-(trifluoromethyl)benzene
PubChem CID75365408
Molecular FormulaC8H4BrF5O
Molecular Weight291.01 g/mol
Exact Mass289.94
IUPAC Name1-bromo-3-(difluoromethoxy)-5-(trifluoromethyl)benzene
SMILESFC(F)Oc1cc(Br)cc(C(F)(F)F)c1
InChIInChI=1S/C8H4BrF5O/c9-5-1-4(8(12,13)14)2-6(3-5)15-7(10)11/h1-3,7H
InChIKeyBZRTUDRFAMWDKM-UHFFFAOYSA-N
XLogP4.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.01
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-3-tert-butyl-5-(difluoromethoxy)benzene
CID 164739424
1-bromo-3-(trichloromethoxy)-5-(trifluoromethyl)benzene
CID 71669577
3-bromo-5-(difluoromethoxy)benzenethiol
CID 121227931
[3-bromo-5-(trifluoromethyl)phenoxy]-trimethylsilane
CID 167715732
1-bromo-3-(2-methylpropoxy)-5-(trifluoromethyl)benzene
CID 169336642
1-(difluoromethoxy)-3-(trifluoromethyl)benzene
CID 13405100
3-(difluoromethoxy)-5-(trifluoromethyl)benzamide
CID 175797774
1-bromo-3-[3-(difluoromethoxy)-5-(trifluoromethyl)phenyl]propan-2-one
CID 134616428
1,3-dichloro-2-[3-(difluoromethoxy)-5-(trifluoromethyl)phenyl]benzene
CID 134629997
1-bromo-3-(difluoromethoxy)-5-methylsulfanylbenzene
CID 121227926
2-[3-bromo-5-(trifluoromethyl)phenoxy]acetic acid
CID 154733834
1-bromo-3-propan-2-yl-5-(trifluoromethyl)benzene;1-(difluoromethoxy)-3-propan-2-yl-5-(trifluoromethyl)benzene;1-(difluoromethyl)-3-propan-2-yl-5-(trifluoromethyl)benzene;1-propan-2-yl-3-(1,1,2,2-tetrafluoroethoxy)-5-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethoxy)-5-(trifluoromethyl)benzene;1-propan-2-yl-3-(trifluoromethyl)-5-(trifluoromethylsulfanyl)benzene
CID 165081222

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(difluoromethoxy)-5-(trifluoromethyl)benzene?
The IUPAC name of 1-bromo-3-(difluoromethoxy)-5-(trifluoromethyl)benzene (CID 75365408) is 1-bromo-3-(difluoromethoxy)-5-(trifluoromethyl)benzene.
What is the SMILES notation for 1-bromo-3-(difluoromethoxy)-5-(trifluoromethyl)benzene?
The canonical SMILES for 1-bromo-3-(difluoromethoxy)-5-(trifluoromethyl)benzene is FC(F)Oc1cc(Br)cc(C(F)(F)F)c1.
What is the InChIKey of 1-bromo-3-(difluoromethoxy)-5-(trifluoromethyl)benzene?
The InChIKey is BZRTUDRFAMWDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrF5O/c9-5-1-4(8(12,13)14)2-6(3-5)15-7(10)11/h1-3,7H.
What are the key properties of 1-bromo-3-(difluoromethoxy)-5-(trifluoromethyl)benzene?
1-bromo-3-(difluoromethoxy)-5-(trifluoromethyl)benzene has a molecular weight of 291.01 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(difluoromethoxy)-5-(trifluoromethyl)benzene is sourced from PubChem (CID 75365408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).