1-bromo-7-(difluoromethoxy)naphthalene

C11H7BrF2O — CID 133084223

IUPAC1-bromo-7-(difluoromethoxy)naphthalene
SMILESFC(F)Oc1ccc2cccc(Br)c2c1
InChIInChI=1S/C11H7BrF2O/c12-10-3-1-2-7-4-5-8(6-9(7)10)15-11(13)14/h1-6,11H
InChIKeyJKQHABVTHKVPPM-UHFFFAOYSA-N
MW273.08 g/mol
LogP4.20
Rot. Bonds2

About 1-bromo-7-(difluoromethoxy)naphthalene

1-bromo-7-(difluoromethoxy)naphthalene (PubChem CID 133084223) has the molecular formula C11H7BrF2O and a molecular weight of 273.08 g/mol. Its IUPAC name is 1-bromo-7-(difluoromethoxy)naphthalene.

Molecular Properties

Compound Name1-bromo-7-(difluoromethoxy)naphthalene
PubChem CID133084223
Molecular FormulaC11H7BrF2O
Molecular Weight273.08 g/mol
Exact Mass271.96
IUPAC Name1-bromo-7-(difluoromethoxy)naphthalene
SMILESFC(F)Oc1ccc2cccc(Br)c2c1
InChIInChI=1S/C11H7BrF2O/c12-10-3-1-2-7-4-5-8(6-9(7)10)15-11(13)14/h1-6,11H
InChIKeyJKQHABVTHKVPPM-UHFFFAOYSA-N
XLogP4.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.08
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(difluoromethoxy)naphthalene;2-(difluoromethoxy)naphthalene
CID 157339906
4-bromo-6-(difluoromethoxy)quinoline
CID 114763893
2,7-bis(difluoromethoxy)naphthalene
CID 119024038
2-bromo-5-(difluoromethoxy)benzenethiol
CID 119002575
6-(difluoromethoxy)naphthalene-1-carbonitrile
CID 118813552
1-bromo-3-[3-(difluoromethoxy)phenyl]-2-methylbenzene
CID 175476030
1-[3-bromo-2-(difluoromethoxy)phenyl]ethanone
CID 171027893
7-(difluoromethoxy)-1-fluoro-3-methylnaphthalene
CID 58839694
1-bromo-4-(difluoromethoxy)-2-methylsulfanylbenzene
CID 119015899
2-bromo-1-(3-bromopropyl)-4-(difluoromethoxy)benzene
CID 134625353
1-chloro-3-(difluoromethoxy)naphthalene
CID 118805249
3-(difluoromethoxy)-1-iodonaphthalene
CID 118814613

Frequently Asked Questions

What is the IUPAC name of 1-bromo-7-(difluoromethoxy)naphthalene?
The IUPAC name of 1-bromo-7-(difluoromethoxy)naphthalene (CID 133084223) is 1-bromo-7-(difluoromethoxy)naphthalene.
What is the SMILES notation for 1-bromo-7-(difluoromethoxy)naphthalene?
The canonical SMILES for 1-bromo-7-(difluoromethoxy)naphthalene is FC(F)Oc1ccc2cccc(Br)c2c1.
What is the InChIKey of 1-bromo-7-(difluoromethoxy)naphthalene?
The InChIKey is JKQHABVTHKVPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrF2O/c12-10-3-1-2-7-4-5-8(6-9(7)10)15-11(13)14/h1-6,11H.
What are the key properties of 1-bromo-7-(difluoromethoxy)naphthalene?
1-bromo-7-(difluoromethoxy)naphthalene has a molecular weight of 273.08 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-7-(difluoromethoxy)naphthalene is sourced from PubChem (CID 133084223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).