1-bromo-5,7,8-trifluoro-1,2,3,4-tetrahydronaphthalene

C10H8BrF3 — CID 103304648

IUPAC1-bromo-5,7,8-trifluoro-1,2,3,4-tetrahydronaphthalene
SMILESFc1cc(F)c2c(c1F)C(Br)CCC2
InChIInChI=1S/C10H8BrF3/c11-6-3-1-2-5-7(12)4-8(13)10(14)9(5)6/h4,6H,1-3H2
InChIKeyANAJNUOPVZQGOI-UHFFFAOYSA-N
MW265.07 g/mol
LogP3.88
Rot. Bonds

About 1-bromo-5,7,8-trifluoro-1,2,3,4-tetrahydronaphthalene

1-bromo-5,7,8-trifluoro-1,2,3,4-tetrahydronaphthalene (PubChem CID 103304648) has the molecular formula C10H8BrF3 and a molecular weight of 265.07 g/mol. Its IUPAC name is 1-bromo-5,7,8-trifluoro-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name1-bromo-5,7,8-trifluoro-1,2,3,4-tetrahydronaphthalene
PubChem CID103304648
Molecular FormulaC10H8BrF3
Molecular Weight265.07 g/mol
Exact Mass263.98
IUPAC Name1-bromo-5,7,8-trifluoro-1,2,3,4-tetrahydronaphthalene
SMILESFc1cc(F)c2c(c1F)C(Br)CCC2
InChIInChI=1S/C10H8BrF3/c11-6-3-1-2-5-7(12)4-8(13)10(14)9(5)6/h4,6H,1-3H2
InChIKeyANAJNUOPVZQGOI-UHFFFAOYSA-N
XLogP3.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.07
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-5,7,8-trifluoro-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 1-bromo-5,7,8-trifluoro-1,2,3,4-tetrahydronaphthalene (CID 103304648) is 1-bromo-5,7,8-trifluoro-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 1-bromo-5,7,8-trifluoro-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 1-bromo-5,7,8-trifluoro-1,2,3,4-tetrahydronaphthalene is Fc1cc(F)c2c(c1F)C(Br)CCC2.
What is the InChIKey of 1-bromo-5,7,8-trifluoro-1,2,3,4-tetrahydronaphthalene?
The InChIKey is ANAJNUOPVZQGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF3/c11-6-3-1-2-5-7(12)4-8(13)10(14)9(5)6/h4,6H,1-3H2.
What are the key properties of 1-bromo-5,7,8-trifluoro-1,2,3,4-tetrahydronaphthalene?
1-bromo-5,7,8-trifluoro-1,2,3,4-tetrahydronaphthalene has a molecular weight of 265.07 g/mol, XLogP of 3.88, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-5,7,8-trifluoro-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 103304648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).