6-(2-bromo-3,3,3-trifluoropropoxy)-1,2,3,4-tetrahydronaphthalene

C13H14BrF3O — CID 64757499

IUPAC6-(2-bromo-3,3,3-trifluoropropoxy)-1,2,3,4-tetrahydronaphthalene
SMILESFC(F)(F)C(Br)COc1ccc2c(c1)CCCC2
InChIInChI=1S/C13H14BrF3O/c14-12(13(15,16)17)8-18-11-6-5-9-3-1-2-4-10(9)7-11/h5-7,12H,1-4,8H2
InChIKeySNVQQCMDWHQZFU-UHFFFAOYSA-N
MW323.15 g/mol
LogP4.27
Rot. Bonds3

About 6-(2-bromo-3,3,3-trifluoropropoxy)-1,2,3,4-tetrahydronaphthalene

6-(2-bromo-3,3,3-trifluoropropoxy)-1,2,3,4-tetrahydronaphthalene (PubChem CID 64757499) has the molecular formula C13H14BrF3O and a molecular weight of 323.15 g/mol. Its IUPAC name is 6-(2-bromo-3,3,3-trifluoropropoxy)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-(2-bromo-3,3,3-trifluoropropoxy)-1,2,3,4-tetrahydronaphthalene
PubChem CID64757499
Molecular FormulaC13H14BrF3O
Molecular Weight323.15 g/mol
Exact Mass322.02
IUPAC Name6-(2-bromo-3,3,3-trifluoropropoxy)-1,2,3,4-tetrahydronaphthalene
SMILESFC(F)(F)C(Br)COc1ccc2c(c1)CCCC2
InChIInChI=1S/C13H14BrF3O/c14-12(13(15,16)17)8-18-11-6-5-9-3-1-2-4-10(9)7-11/h5-7,12H,1-4,8H2
InChIKeySNVQQCMDWHQZFU-UHFFFAOYSA-N
XLogP4.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.15
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2,3-dihydro-1H-inden-5-yloxymethyl)-3,3,3-trifluoropropan-1-amine
CID 103366723
2-bromo-4-(2-bromo-3,3,3-trifluoropropoxy)-1-fluorobenzene
CID 83232718
5-(2-bromo-3,3,3-trifluoropropoxy)-1,3-benzodioxole
CID 64757101
4-(2-bromo-3,3,3-trifluoropropoxy)-2-fluoro-1-methylbenzene
CID 107169098
3,3,3-trifluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine
CID 61398898
1-(2-bromo-3,3,3-trifluoropropoxy)-4-propylbenzene
CID 64757902
1-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentan-2-ol
CID 62042802
N-ethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-2-amine
CID 62038734
1-(2,3-dihydro-1H-inden-5-yloxy)propan-2-ylhydrazine
CID 82283353
6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalene
CID 82076236
1-cyclohexyl-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethanamine
CID 104749235
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1,1,1-trifluoromethanesulfonamide
CID 176697938

Frequently Asked Questions

What is the IUPAC name of 6-(2-bromo-3,3,3-trifluoropropoxy)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-(2-bromo-3,3,3-trifluoropropoxy)-1,2,3,4-tetrahydronaphthalene (CID 64757499) is 6-(2-bromo-3,3,3-trifluoropropoxy)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6-(2-bromo-3,3,3-trifluoropropoxy)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-(2-bromo-3,3,3-trifluoropropoxy)-1,2,3,4-tetrahydronaphthalene is FC(F)(F)C(Br)COc1ccc2c(c1)CCCC2.
What is the InChIKey of 6-(2-bromo-3,3,3-trifluoropropoxy)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is SNVQQCMDWHQZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrF3O/c14-12(13(15,16)17)8-18-11-6-5-9-3-1-2-4-10(9)7-11/h5-7,12H,1-4,8H2.
What are the key properties of 6-(2-bromo-3,3,3-trifluoropropoxy)-1,2,3,4-tetrahydronaphthalene?
6-(2-bromo-3,3,3-trifluoropropoxy)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 323.15 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromo-3,3,3-trifluoropropoxy)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 64757499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).