6-bromo-1,1-difluoro-2H-naphthalen-2-ol

C10H7BrF2O — CID 139850138

IUPAC6-bromo-1,1-difluoro-2H-naphthalen-2-ol
SMILESOC1C=Cc2cc(Br)ccc2C1(F)F
InChIInChI=1S/C10H7BrF2O/c11-7-2-3-8-6(5-7)1-4-9(14)10(8,12)13/h1-5,9,14H
InChIKeyQTSPSEWTVWSBFP-UHFFFAOYSA-N
MW261.07 g/mol
LogP2.93
Rot. Bonds

About 6-bromo-1,1-difluoro-2H-naphthalen-2-ol

6-bromo-1,1-difluoro-2H-naphthalen-2-ol (PubChem CID 139850138) has the molecular formula C10H7BrF2O and a molecular weight of 261.07 g/mol. Its IUPAC name is 6-bromo-1,1-difluoro-2H-naphthalen-2-ol.

Molecular Properties

Compound Name6-bromo-1,1-difluoro-2H-naphthalen-2-ol
PubChem CID139850138
Molecular FormulaC10H7BrF2O
Molecular Weight261.07 g/mol
Exact Mass259.96
IUPAC Name6-bromo-1,1-difluoro-2H-naphthalen-2-ol
SMILESOC1C=Cc2cc(Br)ccc2C1(F)F
InChIInChI=1S/C10H7BrF2O/c11-7-2-3-8-6(5-7)1-4-9(14)10(8,12)13/h1-5,9,14H
InChIKeyQTSPSEWTVWSBFP-UHFFFAOYSA-N
XLogP2.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.07
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1,1-difluoro-2H-naphthalen-2-ol?
The IUPAC name of 6-bromo-1,1-difluoro-2H-naphthalen-2-ol (CID 139850138) is 6-bromo-1,1-difluoro-2H-naphthalen-2-ol.
What is the SMILES notation for 6-bromo-1,1-difluoro-2H-naphthalen-2-ol?
The canonical SMILES for 6-bromo-1,1-difluoro-2H-naphthalen-2-ol is OC1C=Cc2cc(Br)ccc2C1(F)F.
What is the InChIKey of 6-bromo-1,1-difluoro-2H-naphthalen-2-ol?
The InChIKey is QTSPSEWTVWSBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrF2O/c11-7-2-3-8-6(5-7)1-4-9(14)10(8,12)13/h1-5,9,14H.
What are the key properties of 6-bromo-1,1-difluoro-2H-naphthalen-2-ol?
6-bromo-1,1-difluoro-2H-naphthalen-2-ol has a molecular weight of 261.07 g/mol, XLogP of 2.93, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1,1-difluoro-2H-naphthalen-2-ol is sourced from PubChem (CID 139850138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).