1,2,8-trifluoro-3-(2-methoxyethyl)-7-(4-methoxyphenyl)naphthalene;1,2,8-trifluoro-3-(2-methoxyethyl)-7-(4-propoxyphenyl)naphthalene;1,2,8-trifluoro-3-methoxy-7-[4-(2-methylpropoxy)phenyl]naphthalene

C63H57F9O6 — CID 159551358

IUPAC1,2,8-trifluoro-3-(2-methoxyethyl)-7-(4-methoxyphenyl)naphthalene;1,2,8-trifluoro-3-(2-methoxyethyl)-7-(4-propoxyphenyl)naphthalene;1,2,8-trifluoro-3-methoxy-7-[4-(2-methylpropoxy)phenyl]naphthalene
SMILESCCCOc1ccc(-c2ccc3cc(CCOC)c(F)c(F)c3c2F)cc1.COCCc1cc2ccc(-c3ccc(OC)cc3)c(F)c2c(F)c1F.COc1cc2ccc(-c3ccc(OCC(C)C)cc3)c(F)c2c(F)c1F
InChIInChI=1S/C22H21F3O2.C21H19F3O2.C20H17F3O2/c1-3-11-27-17-7-4-14(5-8-17)18-9-6-15-13-16(10-12-26-2)20(23)22(25)19(15)21(18)24;1-12(2)11-26-15-7-4-13(5-8-15)16-9-6-14-10-17(25-3)20(23)21(24)18(14)19(16)22;1-24-10-9-14-11-13-5-8-16(12-3-6-15(25-2)7-4-12)19(22)17(13)20(23)18(14)21/h4-9,13H,3,10-12H2,1-2H3;4-10,12H,11H2,1-3H3;3-8,11H,9-10H2,1-2H3
InChIKeyMFKXDCLDRQPQIM-UHFFFAOYSA-N
MW1081.12 g/mol
LogP16.99
Rot. Bonds17

About 1,2,8-trifluoro-3-(2-methoxyethyl)-7-(4-methoxyphenyl)naphthalene;1,2,8-trifluoro-3-(2-methoxyethyl)-7-(4-propoxyphenyl)naphthalene;1,2,8-trifluoro-3-methoxy-7-[4-(2-methylpropoxy)phenyl]naphthalene

1,2,8-trifluoro-3-(2-methoxyethyl)-7-(4-methoxyphenyl)naphthalene;1,2,8-trifluoro-3-(2-methoxyethyl)-7-(4-propoxyphenyl)naphthalene;1,2,8-trifluoro-3-methoxy-7-[4-(2-methylpropoxy)phenyl]naphthalene (PubChem CID 159551358) has the molecular formula C63H57F9O6 and a molecular weight of 1081.12 g/mol. Its IUPAC name is 1,2,8-trifluoro-3-(2-methoxyethyl)-7-(4-methoxyphenyl)naphthalene;1,2,8-trifluoro-3-(2-methoxyethyl)-7-(4-propoxyphenyl)naphthalene;1,2,8-trifluoro-3-methoxy-7-[4-(2-methylpropoxy)phenyl]naphthalene.

Molecular Properties

Compound Name1,2,8-trifluoro-3-(2-methoxyethyl)-7-(4-methoxyphenyl)naphthalene;1,2,8-trifluoro-3-(2-methoxyethyl)-7-(4-propoxyphenyl)naphthalene;1,2,8-trifluoro-3-methoxy-7-[4-(2-methylpropoxy)phenyl]naphthalene
PubChem CID159551358
Molecular FormulaC63H57F9O6
Molecular Weight1081.12 g/mol
Exact Mass1080.40
IUPAC Name1,2,8-trifluoro-3-(2-methoxyethyl)-7-(4-methoxyphenyl)naphthalene;1,2,8-trifluoro-3-(2-methoxyethyl)-7-(4-propoxyphenyl)naphthalene;1,2,8-trifluoro-3-methoxy-7-[4-(2-methylpropoxy)phenyl]naphthalene
SMILESCCCOc1ccc(-c2ccc3cc(CCOC)c(F)c(F)c3c2F)cc1.COCCc1cc2ccc(-c3ccc(OC)cc3)c(F)c2c(F)c1F.COc1cc2ccc(-c3ccc(OCC(C)C)cc3)c(F)c2c(F)c1F
InChIInChI=1S/C22H21F3O2.C21H19F3O2.C20H17F3O2/c1-3-11-27-17-7-4-14(5-8-17)18-9-6-15-13-16(10-12-26-2)20(23)22(25)19(15)21(18)24;1-12(2)11-26-15-7-4-13(5-8-15)16-9-6-14-10-17(25-3)20(23)21(24)18(14)19(16)22;1-24-10-9-14-11-13-5-8-16(12-3-6-15(25-2)7-4-12)19(22)17(13)20(23)18(14)21/h4-9,13H,3,10-12H2,1-2H3;4-10,12H,11H2,1-3H3;3-8,11H,9-10H2,1-2H3
InChIKeyMFKXDCLDRQPQIM-UHFFFAOYSA-N
XLogP16.99
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001081.12
LogP ≤ 516.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1,2,8-trifluoro-3-(2-methoxyethyl)-7-(4-methoxyphenyl)naphthalene;1,2,8-trifluoro-3-(2-methoxyethyl)-7-(4-propoxyphenyl)naphthalene;1,2,8-trifluoro-3-methoxy-7-[4-(2-methylpropoxy)phenyl]naphthalene with MolForge

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Related Compounds

1,2,8-trifluoro-3-methoxy-7-(4-propoxyphenyl)naphthalene
CID 90128789
1,2,8-trifluoro-3-(2-methoxyethyl)-7-(2-methylpropoxy)naphthalene
CID 90128805
3,4,5,6-tetrafluoro-2-(2-methoxyethyl)-7-propoxyphenanthrene
CID 90128808
2,3-difluoro-1-(2-methoxyethyl)-4-(4-methoxyphenyl)benzene
CID 90128765
1-[2,3-difluoro-4-(2-methoxyethyl)phenyl]-2,3-difluoro-4-propoxybenzene
CID 90128779
1-[4-(4-ethoxyphenyl)phenyl]-2,3-difluoro-4-(4-propoxyphenyl)benzene
CID 19107911
7-(4-ethylphenyl)-1,2,8-trifluoro-3-pentylnaphthalene
CID 139861725
1-butoxy-4-[4-[[2,3-difluoro-4-(4-propoxyphenyl)phenyl]methoxy]phenyl]-2,3-difluorobenzene
CID 89430006
3,4,5,6-tetrafluoro-2-(2-methoxyethyl)-7-[(E)-prop-1-enoxy]phenanthrene
CID 90128842
1-(4-ethoxyphenyl)-2,3-difluoro-4-[4-(6-methoxyhexoxy)phenyl]benzene
CID 90049279
2,3-difluoro-1-(4-octoxyphenyl)-4-pentylbenzene
CID 20665389
3-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-1-propan-2-yloxy-4-(4-propoxyphenyl)benzene
CID 141328728

Frequently Asked Questions

What is the IUPAC name of 1,2,8-trifluoro-3-(2-methoxyethyl)-7-(4-methoxyphenyl)naphthalene;1,2,8-trifluoro-3-(2-methoxyethyl)-7-(4-propoxyphenyl)naphthalene;1,2,8-trifluoro-3-methoxy-7-[4-(2-methylpropoxy)phenyl]naphthalene?
The IUPAC name of 1,2,8-trifluoro-3-(2-methoxyethyl)-7-(4-methoxyphenyl)naphthalene;1,2,8-trifluoro-3-(2-methoxyethyl)-7-(4-propoxyphenyl)naphthalene;1,2,8-trifluoro-3-methoxy-7-[4-(2-methylpropoxy)phenyl]naphthalene (CID 159551358) is 1,2,8-trifluoro-3-(2-methoxyethyl)-7-(4-methoxyphenyl)naphthalene;1,2,8-trifluoro-3-(2-methoxyethyl)-7-(4-propoxyphenyl)naphthalene;1,2,8-trifluoro-3-methoxy-7-[4-(2-methylpropoxy)phenyl]naphthalene.
What is the SMILES notation for 1,2,8-trifluoro-3-(2-methoxyethyl)-7-(4-methoxyphenyl)naphthalene;1,2,8-trifluoro-3-(2-methoxyethyl)-7-(4-propoxyphenyl)naphthalene;1,2,8-trifluoro-3-methoxy-7-[4-(2-methylpropoxy)phenyl]naphthalene?
The canonical SMILES for 1,2,8-trifluoro-3-(2-methoxyethyl)-7-(4-methoxyphenyl)naphthalene;1,2,8-trifluoro-3-(2-methoxyethyl)-7-(4-propoxyphenyl)naphthalene;1,2,8-trifluoro-3-methoxy-7-[4-(2-methylpropoxy)phenyl]naphthalene is CCCOc1ccc(-c2ccc3cc(CCOC)c(F)c(F)c3c2F)cc1.COCCc1cc2ccc(-c3ccc(OC)cc3)c(F)c2c(F)c1F.COc1cc2ccc(-c3ccc(OCC(C)C)cc3)c(F)c2c(F)c1F.
What is the InChIKey of 1,2,8-trifluoro-3-(2-methoxyethyl)-7-(4-methoxyphenyl)naphthalene;1,2,8-trifluoro-3-(2-methoxyethyl)-7-(4-propoxyphenyl)naphthalene;1,2,8-trifluoro-3-methoxy-7-[4-(2-methylpropoxy)phenyl]naphthalene?
The InChIKey is MFKXDCLDRQPQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3O2.C21H19F3O2.C20H17F3O2/c1-3-11-27-17-7-4-14(5-8-17)18-9-6-15-13-16(10-12-26-2)20(23)22(25)19(15)21(18)24;1-12(2)11-26-15-7-4-13(5-8-15)16-9-6-14-10-17(25-3)20(23)21(24)18(14)19(16)22;1-24-10-9-14-11-13-5-8-16(12-3-6-15(25-2)7-4-12)19(22)17(13)20(23)18(14)21/h4-9,13H,3,10-12H2,1-2H3;4-10,12H,11H2,1-3H3;3-8,11H,9-10H2,1-2H3.
What are the key properties of 1,2,8-trifluoro-3-(2-methoxyethyl)-7-(4-methoxyphenyl)naphthalene;1,2,8-trifluoro-3-(2-methoxyethyl)-7-(4-propoxyphenyl)naphthalene;1,2,8-trifluoro-3-methoxy-7-[4-(2-methylpropoxy)phenyl]naphthalene?
1,2,8-trifluoro-3-(2-methoxyethyl)-7-(4-methoxyphenyl)naphthalene;1,2,8-trifluoro-3-(2-methoxyethyl)-7-(4-propoxyphenyl)naphthalene;1,2,8-trifluoro-3-methoxy-7-[4-(2-methylpropoxy)phenyl]naphthalene has a molecular weight of 1081.12 g/mol, XLogP of 16.99, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,8-trifluoro-3-(2-methoxyethyl)-7-(4-methoxyphenyl)naphthalene;1,2,8-trifluoro-3-(2-methoxyethyl)-7-(4-propoxyphenyl)naphthalene;1,2,8-trifluoro-3-methoxy-7-[4-(2-methylpropoxy)phenyl]naphthalene is sourced from PubChem (CID 159551358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).