5-fluoro-4-methoxy-4-(trifluoromethyl)-2,3-dihydro-1H-naphthalene

C12H12F4O — CID 84737588

IUPAC5-fluoro-4-methoxy-4-(trifluoromethyl)-2,3-dihydro-1H-naphthalene
SMILESCOC1(C(F)(F)F)CCCc2cccc(F)c21
InChIInChI=1S/C12H12F4O/c1-17-11(12(14,15)16)7-3-5-8-4-2-6-9(13)10(8)11/h2,4,6H,3,5,7H2,1H3
InChIKeyGPKFOJAAWVBNBS-UHFFFAOYSA-N
MW248.22 g/mol
LogP3.57
Rot. Bonds1

About 5-fluoro-4-methoxy-4-(trifluoromethyl)-2,3-dihydro-1H-naphthalene

5-fluoro-4-methoxy-4-(trifluoromethyl)-2,3-dihydro-1H-naphthalene (PubChem CID 84737588) has the molecular formula C12H12F4O and a molecular weight of 248.22 g/mol. Its IUPAC name is 5-fluoro-4-methoxy-4-(trifluoromethyl)-2,3-dihydro-1H-naphthalene.

Molecular Properties

Compound Name5-fluoro-4-methoxy-4-(trifluoromethyl)-2,3-dihydro-1H-naphthalene
PubChem CID84737588
Molecular FormulaC12H12F4O
Molecular Weight248.22 g/mol
Exact Mass248.08
IUPAC Name5-fluoro-4-methoxy-4-(trifluoromethyl)-2,3-dihydro-1H-naphthalene
SMILESCOC1(C(F)(F)F)CCCc2cccc(F)c21
InChIInChI=1S/C12H12F4O/c1-17-11(12(14,15)16)7-3-5-8-4-2-6-9(13)10(8)11/h2,4,6H,3,5,7H2,1H3
InChIKeyGPKFOJAAWVBNBS-UHFFFAOYSA-N
XLogP3.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.22
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methoxy-4-(trifluoromethyl)-2,3-dihydro-1H-naphthalene?
The IUPAC name of 5-fluoro-4-methoxy-4-(trifluoromethyl)-2,3-dihydro-1H-naphthalene (CID 84737588) is 5-fluoro-4-methoxy-4-(trifluoromethyl)-2,3-dihydro-1H-naphthalene.
What is the SMILES notation for 5-fluoro-4-methoxy-4-(trifluoromethyl)-2,3-dihydro-1H-naphthalene?
The canonical SMILES for 5-fluoro-4-methoxy-4-(trifluoromethyl)-2,3-dihydro-1H-naphthalene is COC1(C(F)(F)F)CCCc2cccc(F)c21.
What is the InChIKey of 5-fluoro-4-methoxy-4-(trifluoromethyl)-2,3-dihydro-1H-naphthalene?
The InChIKey is GPKFOJAAWVBNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F4O/c1-17-11(12(14,15)16)7-3-5-8-4-2-6-9(13)10(8)11/h2,4,6H,3,5,7H2,1H3.
What are the key properties of 5-fluoro-4-methoxy-4-(trifluoromethyl)-2,3-dihydro-1H-naphthalene?
5-fluoro-4-methoxy-4-(trifluoromethyl)-2,3-dihydro-1H-naphthalene has a molecular weight of 248.22 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methoxy-4-(trifluoromethyl)-2,3-dihydro-1H-naphthalene is sourced from PubChem (CID 84737588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).