2-(2,2-difluoro-1-phenylethenyl)-6-methoxynaphthalene

C19H14F2O — CID 132933173

IUPAC2-(2,2-difluoro-1-phenylethenyl)-6-methoxynaphthalene
SMILESCOc1ccc2cc(C(=C(F)F)c3ccccc3)ccc2c1
InChIInChI=1S/C19H14F2O/c1-22-17-10-9-14-11-16(8-7-15(14)12-17)18(19(20)21)13-5-3-2-4-6-13/h2-12H,1H3
InChIKeyAGKIJWAHFPNYPD-UHFFFAOYSA-N
MW296.32 g/mol
LogP5.50
Rot. Bonds3

About 2-(2,2-difluoro-1-phenylethenyl)-6-methoxynaphthalene

2-(2,2-difluoro-1-phenylethenyl)-6-methoxynaphthalene (PubChem CID 132933173) has the molecular formula C19H14F2O and a molecular weight of 296.32 g/mol. Its IUPAC name is 2-(2,2-difluoro-1-phenylethenyl)-6-methoxynaphthalene.

Molecular Properties

Compound Name2-(2,2-difluoro-1-phenylethenyl)-6-methoxynaphthalene
PubChem CID132933173
Molecular FormulaC19H14F2O
Molecular Weight296.32 g/mol
Exact Mass296.10
IUPAC Name2-(2,2-difluoro-1-phenylethenyl)-6-methoxynaphthalene
SMILESCOc1ccc2cc(C(=C(F)F)c3ccccc3)ccc2c1
InChIInChI=1S/C19H14F2O/c1-22-17-10-9-14-11-16(8-7-15(14)12-17)18(19(20)21)13-5-3-2-4-6-13/h2-12H,1H3
InChIKeyAGKIJWAHFPNYPD-UHFFFAOYSA-N
XLogP5.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.32
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(6-methoxynaphthalen-2-yl)-3-phenylpropane-1,3-dione
CID 102495157
1-[2,2-difluoro-1-(4-fluorophenyl)ethenyl]-4-methoxybenzene
CID 11623099
[4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-phenylmethanone
CID 134955229
1-bromo-4-[(E)-2-(4-methoxyphenyl)-1,2-diphenylethenyl]benzene
CID 132514241
2,2,2-trifluoro-1-(6-methoxynaphthalen-2-yl)ethanone
CID 24726833
1-(3-methoxyphenyl)-2-naphthalen-2-ylethane-1,2-dione
CID 170457473
4-(6-methoxynaphthalene-2-carbonyl)benzoic acid
CID 70129561
acetic acid;4-[1-(4-methoxyphenyl)-2,2-diphenylethenyl]phenol
CID 71403634
6-methoxy-N-phenyl-N-propan-2-ylnaphthalene-2-carboxamide;hydrate
CID 110169848
1-(2,2-difluoro-1-phenylethenyl)-4-methylbenzene
CID 101461718
methyl (E)-3-(4-methoxyphenyl)-2-methyl-3-phenylprop-2-enoate
CID 101149814
(2-chlorophenyl)-(6-methoxynaphthalen-2-yl)methanone
CID 63491320

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoro-1-phenylethenyl)-6-methoxynaphthalene?
The IUPAC name of 2-(2,2-difluoro-1-phenylethenyl)-6-methoxynaphthalene (CID 132933173) is 2-(2,2-difluoro-1-phenylethenyl)-6-methoxynaphthalene.
What is the SMILES notation for 2-(2,2-difluoro-1-phenylethenyl)-6-methoxynaphthalene?
The canonical SMILES for 2-(2,2-difluoro-1-phenylethenyl)-6-methoxynaphthalene is COc1ccc2cc(C(=C(F)F)c3ccccc3)ccc2c1.
What is the InChIKey of 2-(2,2-difluoro-1-phenylethenyl)-6-methoxynaphthalene?
The InChIKey is AGKIJWAHFPNYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2O/c1-22-17-10-9-14-11-16(8-7-15(14)12-17)18(19(20)21)13-5-3-2-4-6-13/h2-12H,1H3.
What are the key properties of 2-(2,2-difluoro-1-phenylethenyl)-6-methoxynaphthalene?
2-(2,2-difluoro-1-phenylethenyl)-6-methoxynaphthalene has a molecular weight of 296.32 g/mol, XLogP of 5.50, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoro-1-phenylethenyl)-6-methoxynaphthalene is sourced from PubChem (CID 132933173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).