2-[(4-ethoxyphenyl)-difluoromethoxy]-3-fluoro-6-methoxynaphthalene

C20H17F3O3 — CID 139860822

IUPAC2-[(4-ethoxyphenyl)-difluoromethoxy]-3-fluoro-6-methoxynaphthalene
SMILESCCOc1ccc(C(F)(F)Oc2cc3ccc(OC)cc3cc2F)cc1
InChIInChI=1S/C20H17F3O3/c1-3-25-16-8-5-15(6-9-16)20(22,23)26-19-12-13-4-7-17(24-2)10-14(13)11-18(19)21/h4-12H,3H2,1-2H3
InChIKeyJRXGTPAHTQXZJG-UHFFFAOYSA-N
MW362.35 g/mol
LogP5.51
Rot. Bonds6

About 2-[(4-ethoxyphenyl)-difluoromethoxy]-3-fluoro-6-methoxynaphthalene

2-[(4-ethoxyphenyl)-difluoromethoxy]-3-fluoro-6-methoxynaphthalene (PubChem CID 139860822) has the molecular formula C20H17F3O3 and a molecular weight of 362.35 g/mol. Its IUPAC name is 2-[(4-ethoxyphenyl)-difluoromethoxy]-3-fluoro-6-methoxynaphthalene.

Molecular Properties

Compound Name2-[(4-ethoxyphenyl)-difluoromethoxy]-3-fluoro-6-methoxynaphthalene
PubChem CID139860822
Molecular FormulaC20H17F3O3
Molecular Weight362.35 g/mol
Exact Mass362.11
IUPAC Name2-[(4-ethoxyphenyl)-difluoromethoxy]-3-fluoro-6-methoxynaphthalene
SMILESCCOc1ccc(C(F)(F)Oc2cc3ccc(OC)cc3cc2F)cc1
InChIInChI=1S/C20H17F3O3/c1-3-25-16-8-5-15(6-9-16)20(22,23)26-19-12-13-4-7-17(24-2)10-14(13)11-18(19)21/h4-12H,3H2,1-2H3
InChIKeyJRXGTPAHTQXZJG-UHFFFAOYSA-N
XLogP5.51
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.35
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-[(E)-but-2-enoxy]phenyl]-difluoromethoxy]-3-fluoro-6-methoxynaphthalene
CID 139861190
2-[difluoro-(4-methoxyphenyl)methoxy]-3-fluoro-6-propylnaphthalene
CID 139861032
6-[(E)-but-2-enoxy]-2-[(4-ethylphenyl)-difluoromethoxy]-3-fluoronaphthalene
CID 139861853
2-[[4-[(E)-but-2-enoxy]phenyl]-difluoromethoxy]-3-fluoro-6-propylnaphthalene
CID 139863155
2-[[4-[(E)-but-2-enoxy]phenyl]-difluoromethoxy]-3-fluoro-6-pentylnaphthalene
CID 139862460
6-[(4-ethoxy-2-fluorophenyl)-difluoromethoxy]-2,3-difluoronaphthalene
CID 139853837
2-[(4-but-3-enylphenyl)-difluoromethoxy]-6-ethyl-3-fluoronaphthalene
CID 139863204
1-[ethoxy(difluoro)methyl]-4-methoxybenzene
CID 102488284
2,6-diethoxyanthracene
CID 12651989
6-[difluoro-(4-pentylphenyl)methoxy]-2-ethyl-3-fluoronaphthalene
CID 139864159
(4-ethoxyphenyl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 43474116
2-(3-fluoro-4-methoxyphenyl)-1-(4-methoxyphenyl)propan-2-amine
CID 63273344

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxyphenyl)-difluoromethoxy]-3-fluoro-6-methoxynaphthalene?
The IUPAC name of 2-[(4-ethoxyphenyl)-difluoromethoxy]-3-fluoro-6-methoxynaphthalene (CID 139860822) is 2-[(4-ethoxyphenyl)-difluoromethoxy]-3-fluoro-6-methoxynaphthalene.
What is the SMILES notation for 2-[(4-ethoxyphenyl)-difluoromethoxy]-3-fluoro-6-methoxynaphthalene?
The canonical SMILES for 2-[(4-ethoxyphenyl)-difluoromethoxy]-3-fluoro-6-methoxynaphthalene is CCOc1ccc(C(F)(F)Oc2cc3ccc(OC)cc3cc2F)cc1.
What is the InChIKey of 2-[(4-ethoxyphenyl)-difluoromethoxy]-3-fluoro-6-methoxynaphthalene?
The InChIKey is JRXGTPAHTQXZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3O3/c1-3-25-16-8-5-15(6-9-16)20(22,23)26-19-12-13-4-7-17(24-2)10-14(13)11-18(19)21/h4-12H,3H2,1-2H3.
What are the key properties of 2-[(4-ethoxyphenyl)-difluoromethoxy]-3-fluoro-6-methoxynaphthalene?
2-[(4-ethoxyphenyl)-difluoromethoxy]-3-fluoro-6-methoxynaphthalene has a molecular weight of 362.35 g/mol, XLogP of 5.51, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxyphenyl)-difluoromethoxy]-3-fluoro-6-methoxynaphthalene is sourced from PubChem (CID 139860822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).