(3E)-7-[(3,4-difluorophenyl)methoxy]-4-methylidene-3-[[3-(trifluoromethyl)phenyl]methylidene]-1,2-dihydronaphthalene

C26H19F5O — CID 138464822

IUPAC(3E)-7-[(3,4-difluorophenyl)methoxy]-4-methylidene-3-[[3-(trifluoromethyl)phenyl]methylidene]-1,2-dihydronaphthalene
SMILESC=C1/C(=C/c2cccc(C(F)(F)F)c2)CCc2cc(OCc3ccc(F)c(F)c3)ccc21
InChIInChI=1S/C26H19F5O/c1-16-19(11-17-3-2-4-21(12-17)26(29,30)31)6-7-20-14-22(8-9-23(16)20)32-15-18-5-10-24(27)25(28)13-18/h2-5,8-14H,1,6-7,15H2/b19-11+
InChIKeyYNOJJXMZCMEGHH-YBFXNURJSA-N
MW442.43 g/mol
LogP7.61
Rot. Bonds4

About (3E)-7-[(3,4-difluorophenyl)methoxy]-4-methylidene-3-[[3-(trifluoromethyl)phenyl]methylidene]-1,2-dihydronaphthalene

(3E)-7-[(3,4-difluorophenyl)methoxy]-4-methylidene-3-[[3-(trifluoromethyl)phenyl]methylidene]-1,2-dihydronaphthalene (PubChem CID 138464822) has the molecular formula C26H19F5O and a molecular weight of 442.43 g/mol. Its IUPAC name is (3E)-7-[(3,4-difluorophenyl)methoxy]-4-methylidene-3-[[3-(trifluoromethyl)phenyl]methylidene]-1,2-dihydronaphthalene.

Molecular Properties

Compound Name(3E)-7-[(3,4-difluorophenyl)methoxy]-4-methylidene-3-[[3-(trifluoromethyl)phenyl]methylidene]-1,2-dihydronaphthalene
PubChem CID138464822
Molecular FormulaC26H19F5O
Molecular Weight442.43 g/mol
Exact Mass442.14
IUPAC Name(3E)-7-[(3,4-difluorophenyl)methoxy]-4-methylidene-3-[[3-(trifluoromethyl)phenyl]methylidene]-1,2-dihydronaphthalene
SMILESC=C1/C(=C/c2cccc(C(F)(F)F)c2)CCc2cc(OCc3ccc(F)c(F)c3)ccc21
InChIInChI=1S/C26H19F5O/c1-16-19(11-17-3-2-4-21(12-17)26(29,30)31)6-7-20-14-22(8-9-23(16)20)32-15-18-5-10-24(27)25(28)13-18/h2-5,8-14H,1,6-7,15H2/b19-11+
InChIKeyYNOJJXMZCMEGHH-YBFXNURJSA-N
XLogP7.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.43
LogP ≤ 57.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3E)-7-[(3,4-difluorophenyl)methoxy]-4-methylidene-3-[[3-(trifluoromethyl)phenyl]methylidene]-1,2-dihydronaphthalene?
The IUPAC name of (3E)-7-[(3,4-difluorophenyl)methoxy]-4-methylidene-3-[[3-(trifluoromethyl)phenyl]methylidene]-1,2-dihydronaphthalene (CID 138464822) is (3E)-7-[(3,4-difluorophenyl)methoxy]-4-methylidene-3-[[3-(trifluoromethyl)phenyl]methylidene]-1,2-dihydronaphthalene.
What is the SMILES notation for (3E)-7-[(3,4-difluorophenyl)methoxy]-4-methylidene-3-[[3-(trifluoromethyl)phenyl]methylidene]-1,2-dihydronaphthalene?
The canonical SMILES for (3E)-7-[(3,4-difluorophenyl)methoxy]-4-methylidene-3-[[3-(trifluoromethyl)phenyl]methylidene]-1,2-dihydronaphthalene is C=C1/C(=C/c2cccc(C(F)(F)F)c2)CCc2cc(OCc3ccc(F)c(F)c3)ccc21.
What is the InChIKey of (3E)-7-[(3,4-difluorophenyl)methoxy]-4-methylidene-3-[[3-(trifluoromethyl)phenyl]methylidene]-1,2-dihydronaphthalene?
The InChIKey is YNOJJXMZCMEGHH-YBFXNURJSA-N. The full InChI is InChI=1S/C26H19F5O/c1-16-19(11-17-3-2-4-21(12-17)26(29,30)31)6-7-20-14-22(8-9-23(16)20)32-15-18-5-10-24(27)25(28)13-18/h2-5,8-14H,1,6-7,15H2/b19-11+.
What are the key properties of (3E)-7-[(3,4-difluorophenyl)methoxy]-4-methylidene-3-[[3-(trifluoromethyl)phenyl]methylidene]-1,2-dihydronaphthalene?
(3E)-7-[(3,4-difluorophenyl)methoxy]-4-methylidene-3-[[3-(trifluoromethyl)phenyl]methylidene]-1,2-dihydronaphthalene has a molecular weight of 442.43 g/mol, XLogP of 7.61, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-7-[(3,4-difluorophenyl)methoxy]-4-methylidene-3-[[3-(trifluoromethyl)phenyl]methylidene]-1,2-dihydronaphthalene is sourced from PubChem (CID 138464822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).