1-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-6-bromo-1,2,3,4-tetrahydronaphthalene

C19H15BrF6O — CID 155181434

IUPAC1-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-6-bromo-1,2,3,4-tetrahydronaphthalene
SMILESFC(F)(F)c1cc(COC2CCCc3cc(Br)ccc32)cc(C(F)(F)F)c1
InChIInChI=1S/C19H15BrF6O/c20-15-4-5-16-12(8-15)2-1-3-17(16)27-10-11-6-13(18(21,22)23)9-14(7-11)19(24,25)26/h4-9,17H,1-3,10H2
InChIKeyNEMRLKVVZVRETL-UHFFFAOYSA-N
MW453.22 g/mol
LogP7.08
Rot. Bonds3

About 1-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-6-bromo-1,2,3,4-tetrahydronaphthalene

1-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-6-bromo-1,2,3,4-tetrahydronaphthalene (PubChem CID 155181434) has the molecular formula C19H15BrF6O and a molecular weight of 453.22 g/mol. Its IUPAC name is 1-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-6-bromo-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name1-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-6-bromo-1,2,3,4-tetrahydronaphthalene
PubChem CID155181434
Molecular FormulaC19H15BrF6O
Molecular Weight453.22 g/mol
Exact Mass452.02
IUPAC Name1-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-6-bromo-1,2,3,4-tetrahydronaphthalene
SMILESFC(F)(F)c1cc(COC2CCCc3cc(Br)ccc32)cc(C(F)(F)F)c1
InChIInChI=1S/C19H15BrF6O/c20-15-4-5-16-12(8-15)2-1-3-17(16)27-10-11-6-13(18(21,22)23)9-14(7-11)19(24,25)26/h4-9,17H,1-3,10H2
InChIKeyNEMRLKVVZVRETL-UHFFFAOYSA-N
XLogP7.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.22
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-6-bromo-1,2,3,4-tetrahydronaphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-5-bromo-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran
CID 29922586
(4abeta,9beta,10beta)-7-Bromo-9,10-epoxy-trans-1,2,3,4,4a,9,10,10a-octahydrophenanthrene
CID 147241
(4abeta,9alpha,10alpha)-7-Bromo-9,10-epoxy-trans-1,2,3,4,4a,9,10,10a-octahydrophenanthrene
CID 147244
5-Bromo-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran
CID 11323819
1-[1-[(1S,2S,3S)-3-(bromomethyl)-2-phenylcyclohexyl]oxyethyl]-3,5-bis(trifluoromethyl)benzene
CID 22885734
1-Benzyl-3-[[2-(4-bromophenyl)-3,3,3-trifluoropropoxy]methyl]benzene
CID 57172479
8-Bromo-5,6-difluoro-1-phenylmethoxy-1,2,3,4-tetrahydronaphthalene
CID 57802016
6-Bromo-8-fluoro-1-phenylmethoxy-1,2,3,4-tetrahydronaphthalene
CID 58995747
4-bromo-1-[(2R)-1,1-difluoro-3-phenylmethoxypropan-2-yl]-2-methylbenzene
CID 118092898
4-Bromo-1-(1,1-difluoro-3-phenylmethoxypropan-2-yl)-2-methylbenzene
CID 118092900
5-[[4-[(4-Bromophenyl)-difluoromethoxy]cyclohexyl]methyl]-1,2,3-trimethylbenzene
CID 118603320
1-Bromo-4-[difluoro-[4-[[4-[(3,4,5-trimethylphenyl)methyl]cyclohexyl]methyl]cyclohexyl]oxymethyl]-2,3-dimethylbenzene
CID 118604490

Frequently Asked Questions

What is the IUPAC name of 1-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-6-bromo-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 1-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-6-bromo-1,2,3,4-tetrahydronaphthalene (CID 155181434) is 1-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-6-bromo-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 1-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-6-bromo-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 1-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-6-bromo-1,2,3,4-tetrahydronaphthalene is FC(F)(F)c1cc(COC2CCCc3cc(Br)ccc32)cc(C(F)(F)F)c1.
What is the InChIKey of 1-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-6-bromo-1,2,3,4-tetrahydronaphthalene?
The InChIKey is NEMRLKVVZVRETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrF6O/c20-15-4-5-16-12(8-15)2-1-3-17(16)27-10-11-6-13(18(21,22)23)9-14(7-11)19(24,25)26/h4-9,17H,1-3,10H2.
What are the key properties of 1-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-6-bromo-1,2,3,4-tetrahydronaphthalene?
1-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-6-bromo-1,2,3,4-tetrahydronaphthalene has a molecular weight of 453.22 g/mol, XLogP of 7.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-6-bromo-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 155181434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).