2-(3-fluoro-4-methoxyphenyl)-5-(3-fluoro-5-methoxyphenyl)thiophene

C18H14F2O2S — CID 44543106

IUPAC2-(3-fluoro-4-methoxyphenyl)-5-(3-fluoro-5-methoxyphenyl)thiophene
SMILESCOc1cc(F)cc(-c2ccc(-c3ccc(OC)c(F)c3)s2)c1
InChIInChI=1S/C18H14F2O2S/c1-21-14-8-12(7-13(19)10-14)18-6-5-17(23-18)11-3-4-16(22-2)15(20)9-11/h3-10H,1-2H3
InChIKeyNSZBJVZVAXCANP-UHFFFAOYSA-N
MW332.37 g/mol
LogP5.38
Rot. Bonds4

About 2-(3-fluoro-4-methoxyphenyl)-5-(3-fluoro-5-methoxyphenyl)thiophene

2-(3-fluoro-4-methoxyphenyl)-5-(3-fluoro-5-methoxyphenyl)thiophene (PubChem CID 44543106) has the molecular formula C18H14F2O2S and a molecular weight of 332.37 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)-5-(3-fluoro-5-methoxyphenyl)thiophene.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)-5-(3-fluoro-5-methoxyphenyl)thiophene
PubChem CID44543106
Molecular FormulaC18H14F2O2S
Molecular Weight332.37 g/mol
Exact Mass332.07
IUPAC Name2-(3-fluoro-4-methoxyphenyl)-5-(3-fluoro-5-methoxyphenyl)thiophene
SMILESCOc1cc(F)cc(-c2ccc(-c3ccc(OC)c(F)c3)s2)c1
InChIInChI=1S/C18H14F2O2S/c1-21-14-8-12(7-13(19)10-14)18-6-5-17(23-18)11-3-4-16(22-2)15(20)9-11/h3-10H,1-2H3
InChIKeyNSZBJVZVAXCANP-UHFFFAOYSA-N
XLogP5.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.37
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-difluoro-4-(3-fluoro-4-methoxyphenyl)benzene
CID 18930756
(E)-3-[5-(3-fluoro-4-methoxyphenyl)thiophen-2-yl]but-2-enoic acid
CID 82543862
3-[5-(3-fluoro-4-methoxyphenyl)thiophen-2-yl]butanoic acid
CID 82543076
2-(3-methoxyphenyl)-5-(4-methoxy-3-phenylphenyl)thiophene
CID 44542351
2-(2,3-difluoro-4-methoxyphenyl)-5-(4-methoxyphenyl)thiophene
CID 141443240
5-fluoro-2-(3-fluoro-4-methoxyphenyl)-1,3-benzothiazole
CID 11514632
1-fluoro-3-methoxy-5-(4-methylsulfanylphenyl)benzene
CID 70699755
2-(3-fluoro-4-methoxyphenyl)pyrimidine
CID 134263784
4-(3-fluoro-5-methoxyphenyl)benzoic acid
CID 68930625
2,5-bis[5-(6-methoxynaphthalen-2-yl)thiophen-2-yl]thiophene
CID 102235498
1,2,3-trifluoro-4-(3-fluoro-5-methoxyphenyl)benzene
CID 165487058
2,5-bis[4-(4-methoxyphenyl)phenyl]thiophene
CID 16751334

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-5-(3-fluoro-5-methoxyphenyl)thiophene?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-5-(3-fluoro-5-methoxyphenyl)thiophene (CID 44543106) is 2-(3-fluoro-4-methoxyphenyl)-5-(3-fluoro-5-methoxyphenyl)thiophene.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)-5-(3-fluoro-5-methoxyphenyl)thiophene?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)-5-(3-fluoro-5-methoxyphenyl)thiophene is COc1cc(F)cc(-c2ccc(-c3ccc(OC)c(F)c3)s2)c1.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)-5-(3-fluoro-5-methoxyphenyl)thiophene?
The InChIKey is NSZBJVZVAXCANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2O2S/c1-21-14-8-12(7-13(19)10-14)18-6-5-17(23-18)11-3-4-16(22-2)15(20)9-11/h3-10H,1-2H3.
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)-5-(3-fluoro-5-methoxyphenyl)thiophene?
2-(3-fluoro-4-methoxyphenyl)-5-(3-fluoro-5-methoxyphenyl)thiophene has a molecular weight of 332.37 g/mol, XLogP of 5.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)-5-(3-fluoro-5-methoxyphenyl)thiophene is sourced from PubChem (CID 44543106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).