1-bromo-3-(difluoromethyl)naphthalene

C11H7BrF2 — CID 118811882

IUPAC1-bromo-3-(difluoromethyl)naphthalene
SMILESFC(F)c1cc(Br)c2ccccc2c1
InChIInChI=1S/C11H7BrF2/c12-10-6-8(11(13)14)5-7-3-1-2-4-9(7)10/h1-6,11H
InChIKeyPSWCNBZMJHEGKC-UHFFFAOYSA-N
MW257.08 g/mol
LogP4.54
Rot. Bonds1

About 1-bromo-3-(difluoromethyl)naphthalene

1-bromo-3-(difluoromethyl)naphthalene (PubChem CID 118811882) has the molecular formula C11H7BrF2 and a molecular weight of 257.08 g/mol. Its IUPAC name is 1-bromo-3-(difluoromethyl)naphthalene.

Molecular Properties

Compound Name1-bromo-3-(difluoromethyl)naphthalene
PubChem CID118811882
Molecular FormulaC11H7BrF2
Molecular Weight257.08 g/mol
Exact Mass255.97
IUPAC Name1-bromo-3-(difluoromethyl)naphthalene
SMILESFC(F)c1cc(Br)c2ccccc2c1
InChIInChI=1S/C11H7BrF2/c12-10-6-8(11(13)14)5-7-3-1-2-4-9(7)10/h1-6,11H
InChIKeyPSWCNBZMJHEGKC-UHFFFAOYSA-N
XLogP4.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.08
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(difluoromethyl)naphthalene?
The IUPAC name of 1-bromo-3-(difluoromethyl)naphthalene (CID 118811882) is 1-bromo-3-(difluoromethyl)naphthalene.
What is the SMILES notation for 1-bromo-3-(difluoromethyl)naphthalene?
The canonical SMILES for 1-bromo-3-(difluoromethyl)naphthalene is FC(F)c1cc(Br)c2ccccc2c1.
What is the InChIKey of 1-bromo-3-(difluoromethyl)naphthalene?
The InChIKey is PSWCNBZMJHEGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrF2/c12-10-6-8(11(13)14)5-7-3-1-2-4-9(7)10/h1-6,11H.
What are the key properties of 1-bromo-3-(difluoromethyl)naphthalene?
1-bromo-3-(difluoromethyl)naphthalene has a molecular weight of 257.08 g/mol, XLogP of 4.54, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(difluoromethyl)naphthalene is sourced from PubChem (CID 118811882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).