7-methoxy-3-(trifluoromethyl)-1,2-dihydronaphthalene

C12H11F3O — CID 132552094

IUPAC7-methoxy-3-(trifluoromethyl)-1,2-dihydronaphthalene
SMILESCOc1ccc2c(c1)CCC(C(F)(F)F)=C2
InChIInChI=1S/C12H11F3O/c1-16-11-5-3-8-6-10(12(13,14)15)4-2-9(8)7-11/h3,5-7H,2,4H2,1H3
InChIKeyMHRPNUSDGXVNFK-UHFFFAOYSA-N
MW228.21 g/mol
LogP3.59
Rot. Bonds1

About 7-methoxy-3-(trifluoromethyl)-1,2-dihydronaphthalene

7-methoxy-3-(trifluoromethyl)-1,2-dihydronaphthalene (PubChem CID 132552094) has the molecular formula C12H11F3O and a molecular weight of 228.21 g/mol. Its IUPAC name is 7-methoxy-3-(trifluoromethyl)-1,2-dihydronaphthalene.

Molecular Properties

Compound Name7-methoxy-3-(trifluoromethyl)-1,2-dihydronaphthalene
PubChem CID132552094
Molecular FormulaC12H11F3O
Molecular Weight228.21 g/mol
Exact Mass228.08
IUPAC Name7-methoxy-3-(trifluoromethyl)-1,2-dihydronaphthalene
SMILESCOc1ccc2c(c1)CCC(C(F)(F)F)=C2
InChIInChI=1S/C12H11F3O/c1-16-11-5-3-8-6-10(12(13,14)15)4-2-9(8)7-11/h3,5-7H,2,4H2,1H3
InChIKeyMHRPNUSDGXVNFK-UHFFFAOYSA-N
XLogP3.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(6-methoxy-3,4-dihydronaphthalen-2-yl)propan-2-amine
CID 105471629
2,6-dimethoxy-8,9-dihydro-7H-benzo[7]annulene
CID 143787705
[(5E)-2-methoxy-7,8,9,10-tetrahydrobenzo[8]annulen-6-yl] trifluoromethanesulfonate
CID 155222030
3-(2,4-dimethoxyphenyl)-7-methoxy-1,2-dihydronaphthalene
CID 57081453
7-methoxy-3-(1-methoxypropyl)-1,2-dihydronaphthalene
CID 143846492
2-methoxy-7-(trifluoromethoxy)-9,10-dihydrophenanthrene
CID 18377970
3-(6-methoxy-3,4-dihydronaphthalen-2-yl)propane-1,2-diamine
CID 10681104
3-(2-chloro-4-fluoro-3-methoxyphenyl)-7-methoxy-1,2-dihydronaphthalene
CID 54050552
1-(6-methoxy-3,4-dihydronaphthalen-2-yl)ethylurea
CID 152747543
2,2,2-trifluoro-1-(8-methoxy-1,2-dihydro-3-benzazepin-3-yl)ethanone
CID 46831330
3,7-dimethoxy-1H-naphthalen-2-one
CID 142704894
3-fluoro-6-methoxy-3-methyl-1,2-dihydroindene
CID 84718386

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-(trifluoromethyl)-1,2-dihydronaphthalene?
The IUPAC name of 7-methoxy-3-(trifluoromethyl)-1,2-dihydronaphthalene (CID 132552094) is 7-methoxy-3-(trifluoromethyl)-1,2-dihydronaphthalene.
What is the SMILES notation for 7-methoxy-3-(trifluoromethyl)-1,2-dihydronaphthalene?
The canonical SMILES for 7-methoxy-3-(trifluoromethyl)-1,2-dihydronaphthalene is COc1ccc2c(c1)CCC(C(F)(F)F)=C2.
What is the InChIKey of 7-methoxy-3-(trifluoromethyl)-1,2-dihydronaphthalene?
The InChIKey is MHRPNUSDGXVNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3O/c1-16-11-5-3-8-6-10(12(13,14)15)4-2-9(8)7-11/h3,5-7H,2,4H2,1H3.
What are the key properties of 7-methoxy-3-(trifluoromethyl)-1,2-dihydronaphthalene?
7-methoxy-3-(trifluoromethyl)-1,2-dihydronaphthalene has a molecular weight of 228.21 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-(trifluoromethyl)-1,2-dihydronaphthalene is sourced from PubChem (CID 132552094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).