1-bromo-5-fluoro-7,8-dimethyl-1,2,3,4-tetrahydronaphthalene

C12H14BrF — CID 130892688

IUPAC1-bromo-5-fluoro-7,8-dimethyl-1,2,3,4-tetrahydronaphthalene
SMILESCc1cc(F)c2c(c1C)C(Br)CCC2
InChIInChI=1S/C12H14BrF/c1-7-6-11(14)9-4-3-5-10(13)12(9)8(7)2/h6,10H,3-5H2,1-2H3
InChIKeyNNTVGDJEKRPDKU-UHFFFAOYSA-N
MW257.15 g/mol
LogP4.21
Rot. Bonds

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

1-bromo-5-fluoro-7,8-dimethyl-1,2,3,4-tetrahydronaphthalene (PubChem CID 130892688) has the molecular formula C12H14BrF and a molecular weight of 257.15 g/mol. Its IUPAC name is 1-bromo-5-fluoro-7,8-dimethyl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name1-bromo-5-fluoro-7,8-dimethyl-1,2,3,4-tetrahydronaphthalene
PubChem CID130892688
Molecular FormulaC12H14BrF
Molecular Weight257.15 g/mol
Exact Mass256.03
IUPAC Name1-bromo-5-fluoro-7,8-dimethyl-1,2,3,4-tetrahydronaphthalene
SMILESCc1cc(F)c2c(c1C)C(Br)CCC2
InChIInChI=1S/C12H14BrF/c1-7-6-11(14)9-4-3-5-10(13)12(9)8(7)2/h6,10H,3-5H2,1-2H3
InChIKeyNNTVGDJEKRPDKU-UHFFFAOYSA-N
XLogP4.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.15
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-1,3-difluoro-4-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 79731991
1-bromo-5,7,8-trifluoro-1,2,3,4-tetrahydronaphthalene
CID 103304648
5,7-difluoro-8-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 79732992
5-bromo-1,3-difluoro-4,7,7-trimethyl-5,6,8,9-tetrahydrobenzo[7]annulene
CID 79731863
(5R)-1,3-difluoro-4-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 79731744
1,4,5-tribromo-3-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 81471013
1,3-difluoro-4-methyl-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 79732480
(5R)-1-chloro-3,4-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 115484988
(1R)-5-fluoro-7,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79014418
(2R)-2-(3-fluoro-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolidine
CID 66519369
(1R)-6-fluoro-5-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 130740875
(1S)-7-bromo-5-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine
CID 130742780

Frequently Asked Questions

What is the IUPAC name of 1-bromo-5-fluoro-7,8-dimethyl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 1-bromo-5-fluoro-7,8-dimethyl-1,2,3,4-tetrahydronaphthalene (CID 130892688) is 1-bromo-5-fluoro-7,8-dimethyl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 1-bromo-5-fluoro-7,8-dimethyl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 1-bromo-5-fluoro-7,8-dimethyl-1,2,3,4-tetrahydronaphthalene is Cc1cc(F)c2c(c1C)C(Br)CCC2.
What is the InChIKey of 1-bromo-5-fluoro-7,8-dimethyl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is NNTVGDJEKRPDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrF/c1-7-6-11(14)9-4-3-5-10(13)12(9)8(7)2/h6,10H,3-5H2,1-2H3.
What are the key properties of 1-bromo-5-fluoro-7,8-dimethyl-1,2,3,4-tetrahydronaphthalene?
1-bromo-5-fluoro-7,8-dimethyl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 257.15 g/mol, XLogP of 4.21, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-5-fluoro-7,8-dimethyl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 130892688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).