2-(2-fluoro-4-methoxyphenyl)-6-(2,2,2-trifluoroethoxy)naphthalene

C19H14F4O2 — CID 139856467

IUPAC2-(2-fluoro-4-methoxyphenyl)-6-(2,2,2-trifluoroethoxy)naphthalene
SMILESCOc1ccc(-c2ccc3cc(OCC(F)(F)F)ccc3c2)c(F)c1
InChIInChI=1S/C19H14F4O2/c1-24-15-6-7-17(18(20)10-15)14-3-2-13-9-16(5-4-12(13)8-14)25-11-19(21,22)23/h2-10H,11H2,1H3
InChIKeyADQKDGGTMAEUPU-UHFFFAOYSA-N
MW350.31 g/mol
LogP5.60
Rot. Bonds4

About 2-(2-fluoro-4-methoxyphenyl)-6-(2,2,2-trifluoroethoxy)naphthalene

2-(2-fluoro-4-methoxyphenyl)-6-(2,2,2-trifluoroethoxy)naphthalene (PubChem CID 139856467) has the molecular formula C19H14F4O2 and a molecular weight of 350.31 g/mol. Its IUPAC name is 2-(2-fluoro-4-methoxyphenyl)-6-(2,2,2-trifluoroethoxy)naphthalene.

Molecular Properties

Compound Name2-(2-fluoro-4-methoxyphenyl)-6-(2,2,2-trifluoroethoxy)naphthalene
PubChem CID139856467
Molecular FormulaC19H14F4O2
Molecular Weight350.31 g/mol
Exact Mass350.09
IUPAC Name2-(2-fluoro-4-methoxyphenyl)-6-(2,2,2-trifluoroethoxy)naphthalene
SMILESCOc1ccc(-c2ccc3cc(OCC(F)(F)F)ccc3c2)c(F)c1
InChIInChI=1S/C19H14F4O2/c1-24-15-6-7-17(18(20)10-15)14-3-2-13-9-16(5-4-12(13)8-14)25-11-19(21,22)23/h2-10H,11H2,1H3
InChIKeyADQKDGGTMAEUPU-UHFFFAOYSA-N
XLogP5.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.31
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-fluoro-4-[(E)-pent-3-enyl]phenyl]-6-(2,2,2-trifluoroethoxy)naphthalene
CID 139855856
[3-fluoro-4-(6-methoxynaphthalen-2-yl)phenyl]methanamine
CID 81441338
2-fluoro-1-(4-fluorophenyl)-4-methoxybenzene
CID 46312221
2-(2,2,2-trifluoroethoxy)naphthalene
CID 21269180
[4-(2-fluoro-4-methoxyphenyl)phenyl]methanamine
CID 61034326
2-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-6-(2,2,2-trifluoroethoxy)naphthalene
CID 139855208
6-[4-(2,6-difluoro-4-methoxyphenyl)-2-fluorophenyl]-1-fluoro-2-(trifluoromethyl)naphthalene
CID 139855616
2-(4-but-2-enoxyphenyl)-6-(2,2,2-trifluoroethoxy)naphthalene
CID 139856089
5-(2-fluoro-4-methoxyphenyl)-2-methoxyphenol
CID 53220882
4-fluoro-3-(6-methoxynaphthalen-2-yl)aniline
CID 104781273
4-(6-methoxynaphthalen-2-yl)-3-(trifluoromethyl)benzoic acid
CID 67974824
2-methoxy-6-(4-methoxyphenyl)naphthalene
CID 11149734

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-methoxyphenyl)-6-(2,2,2-trifluoroethoxy)naphthalene?
The IUPAC name of 2-(2-fluoro-4-methoxyphenyl)-6-(2,2,2-trifluoroethoxy)naphthalene (CID 139856467) is 2-(2-fluoro-4-methoxyphenyl)-6-(2,2,2-trifluoroethoxy)naphthalene.
What is the SMILES notation for 2-(2-fluoro-4-methoxyphenyl)-6-(2,2,2-trifluoroethoxy)naphthalene?
The canonical SMILES for 2-(2-fluoro-4-methoxyphenyl)-6-(2,2,2-trifluoroethoxy)naphthalene is COc1ccc(-c2ccc3cc(OCC(F)(F)F)ccc3c2)c(F)c1.
What is the InChIKey of 2-(2-fluoro-4-methoxyphenyl)-6-(2,2,2-trifluoroethoxy)naphthalene?
The InChIKey is ADQKDGGTMAEUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F4O2/c1-24-15-6-7-17(18(20)10-15)14-3-2-13-9-16(5-4-12(13)8-14)25-11-19(21,22)23/h2-10H,11H2,1H3.
What are the key properties of 2-(2-fluoro-4-methoxyphenyl)-6-(2,2,2-trifluoroethoxy)naphthalene?
2-(2-fluoro-4-methoxyphenyl)-6-(2,2,2-trifluoroethoxy)naphthalene has a molecular weight of 350.31 g/mol, XLogP of 5.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-methoxyphenyl)-6-(2,2,2-trifluoroethoxy)naphthalene is sourced from PubChem (CID 139856467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).