4-bromo-1-chloro-2-(trifluoromethyl)naphthalene

C11H5BrClF3 — CID 84820277

IUPAC4-bromo-1-chloro-2-(trifluoromethyl)naphthalene
SMILESFC(F)(F)c1cc(Br)c2ccccc2c1Cl
InChIInChI=1S/C11H5BrClF3/c12-9-5-8(11(14,15)16)10(13)7-4-2-1-3-6(7)9/h1-5H
InChIKeyXBMSGRBWXDVNEB-UHFFFAOYSA-N
MW309.51 g/mol
LogP5.27
Rot. Bonds

About 4-bromo-1-chloro-2-(trifluoromethyl)naphthalene

4-bromo-1-chloro-2-(trifluoromethyl)naphthalene (PubChem CID 84820277) has the molecular formula C11H5BrClF3 and a molecular weight of 309.51 g/mol. Its IUPAC name is 4-bromo-1-chloro-2-(trifluoromethyl)naphthalene.

Molecular Properties

Compound Name4-bromo-1-chloro-2-(trifluoromethyl)naphthalene
PubChem CID84820277
Molecular FormulaC11H5BrClF3
Molecular Weight309.51 g/mol
Exact Mass307.92
IUPAC Name4-bromo-1-chloro-2-(trifluoromethyl)naphthalene
SMILESFC(F)(F)c1cc(Br)c2ccccc2c1Cl
InChIInChI=1S/C11H5BrClF3/c12-9-5-8(11(14,15)16)10(13)7-4-2-1-3-6(7)9/h1-5H
InChIKeyXBMSGRBWXDVNEB-UHFFFAOYSA-N
XLogP5.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.51
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

CID 3118927
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CID 20331999
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CID 299007
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CID 118811882
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CID 134222120
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CID 14790560
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CID 53407198
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CID 167713767
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CID 102300284
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CID 18462383
CID 18462383

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-chloro-2-(trifluoromethyl)naphthalene?
The IUPAC name of 4-bromo-1-chloro-2-(trifluoromethyl)naphthalene (CID 84820277) is 4-bromo-1-chloro-2-(trifluoromethyl)naphthalene.
What is the SMILES notation for 4-bromo-1-chloro-2-(trifluoromethyl)naphthalene?
The canonical SMILES for 4-bromo-1-chloro-2-(trifluoromethyl)naphthalene is FC(F)(F)c1cc(Br)c2ccccc2c1Cl.
What is the InChIKey of 4-bromo-1-chloro-2-(trifluoromethyl)naphthalene?
The InChIKey is XBMSGRBWXDVNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrClF3/c12-9-5-8(11(14,15)16)10(13)7-4-2-1-3-6(7)9/h1-5H.
What are the key properties of 4-bromo-1-chloro-2-(trifluoromethyl)naphthalene?
4-bromo-1-chloro-2-(trifluoromethyl)naphthalene has a molecular weight of 309.51 g/mol, XLogP of 5.27, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-chloro-2-(trifluoromethyl)naphthalene is sourced from PubChem (CID 84820277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).