7-bromo-1,4,4-trifluoro-3-methoxy-2,3-dihydro-1H-naphthalene

C11H10BrF3O — CID 11312450

IUPAC7-bromo-1,4,4-trifluoro-3-methoxy-2,3-dihydro-1H-naphthalene
SMILESCOC1CC(F)c2cc(Br)ccc2C1(F)F
InChIInChI=1S/C11H10BrF3O/c1-16-10-5-9(13)7-4-6(12)2-3-8(7)11(10,14)15/h2-4,9-10H,5H2,1H3
InChIKeyBIGIGJCFQYHFNM-UHFFFAOYSA-N
MW295.10 g/mol
LogP3.97
Rot. Bonds1

About 7-bromo-1,4,4-trifluoro-3-methoxy-2,3-dihydro-1H-naphthalene

7-bromo-1,4,4-trifluoro-3-methoxy-2,3-dihydro-1H-naphthalene (PubChem CID 11312450) has the molecular formula C11H10BrF3O and a molecular weight of 295.10 g/mol. Its IUPAC name is 7-bromo-1,4,4-trifluoro-3-methoxy-2,3-dihydro-1H-naphthalene.

Molecular Properties

Compound Name7-bromo-1,4,4-trifluoro-3-methoxy-2,3-dihydro-1H-naphthalene
PubChem CID11312450
Molecular FormulaC11H10BrF3O
Molecular Weight295.10 g/mol
Exact Mass293.99
IUPAC Name7-bromo-1,4,4-trifluoro-3-methoxy-2,3-dihydro-1H-naphthalene
SMILESCOC1CC(F)c2cc(Br)ccc2C1(F)F
InChIInChI=1S/C11H10BrF3O/c1-16-10-5-9(13)7-4-6(12)2-3-8(7)11(10,14)15/h2-4,9-10H,5H2,1H3
InChIKeyBIGIGJCFQYHFNM-UHFFFAOYSA-N
XLogP3.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.10
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-Bromo-1,2,3,4-tetrahydronaphthalen-2-ol
CID 105484321
6-Bromo-1,2,3,4-tetrahydronaphthalen-2-ol
CID 18377805
(2S)-6-Bromo-1,2,3,4-tetrahydronaphthalen-2-ol
CID 69769589
8-Bromo-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-ol
CID 58734223
7-bromo-4,4,5-trifluoro-2,3-dihydro-1H-naphthalen-1-ol
CID 58995716
6-bromo-1,1,8-trifluoro-3,4-dihydro-2H-naphthalen-2-ol
CID 58995740
1-Bromo-2-fluoro-5-(2-methoxyethyl)-4-methylbenzene
CID 91231234
1-[4-Bromo-2-(trifluoromethyl)phenyl]propan-2-ol
CID 117114539
7-Bromo-3-(2,2,2-trifluoroethoxy)-1,2-dihydronaphthalene
CID 117923438
4-bromo-1-[(2R)-3-butoxy-1,1-difluoropropan-2-yl]-2-methylbenzene
CID 118101207
1-Bromo-4-(1,1-difluoro-2-methoxyethyl)benzene
CID 126529509
6-bromo-1,1-difluoro-2H-naphthalen-2-ol
CID 139850138

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1,4,4-trifluoro-3-methoxy-2,3-dihydro-1H-naphthalene?
The IUPAC name of 7-bromo-1,4,4-trifluoro-3-methoxy-2,3-dihydro-1H-naphthalene (CID 11312450) is 7-bromo-1,4,4-trifluoro-3-methoxy-2,3-dihydro-1H-naphthalene.
What is the SMILES notation for 7-bromo-1,4,4-trifluoro-3-methoxy-2,3-dihydro-1H-naphthalene?
The canonical SMILES for 7-bromo-1,4,4-trifluoro-3-methoxy-2,3-dihydro-1H-naphthalene is COC1CC(F)c2cc(Br)ccc2C1(F)F.
What is the InChIKey of 7-bromo-1,4,4-trifluoro-3-methoxy-2,3-dihydro-1H-naphthalene?
The InChIKey is BIGIGJCFQYHFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrF3O/c1-16-10-5-9(13)7-4-6(12)2-3-8(7)11(10,14)15/h2-4,9-10H,5H2,1H3.
What are the key properties of 7-bromo-1,4,4-trifluoro-3-methoxy-2,3-dihydro-1H-naphthalene?
7-bromo-1,4,4-trifluoro-3-methoxy-2,3-dihydro-1H-naphthalene has a molecular weight of 295.10 g/mol, XLogP of 3.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1,4,4-trifluoro-3-methoxy-2,3-dihydro-1H-naphthalene is sourced from PubChem (CID 11312450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).