(4-fluoronaphthalen-1-yl)-(3-methoxythiophen-2-yl)methanone

C16H11FO2S — CID 81127573

IUPAC(4-fluoronaphthalen-1-yl)-(3-methoxythiophen-2-yl)methanone
SMILESCOc1ccsc1C(=O)c1ccc(F)c2ccccc12
InChIInChI=1S/C16H11FO2S/c1-19-14-8-9-20-16(14)15(18)12-6-7-13(17)11-5-3-2-4-10(11)12/h2-9H,1H3
InChIKeyYYIKBQYZOLEKRX-UHFFFAOYSA-N
MW286.33 g/mol
LogP4.28
Rot. Bonds3

About (4-fluoronaphthalen-1-yl)-(3-methoxythiophen-2-yl)methanone

(4-fluoronaphthalen-1-yl)-(3-methoxythiophen-2-yl)methanone (PubChem CID 81127573) has the molecular formula C16H11FO2S and a molecular weight of 286.33 g/mol. Its IUPAC name is (4-fluoronaphthalen-1-yl)-(3-methoxythiophen-2-yl)methanone.

Molecular Properties

Compound Name(4-fluoronaphthalen-1-yl)-(3-methoxythiophen-2-yl)methanone
PubChem CID81127573
Molecular FormulaC16H11FO2S
Molecular Weight286.33 g/mol
Exact Mass286.05
IUPAC Name(4-fluoronaphthalen-1-yl)-(3-methoxythiophen-2-yl)methanone
SMILESCOc1ccsc1C(=O)c1ccc(F)c2ccccc12
InChIInChI=1S/C16H11FO2S/c1-19-14-8-9-20-16(14)15(18)12-6-7-13(17)11-5-3-2-4-10(11)12/h2-9H,1H3
InChIKeyYYIKBQYZOLEKRX-UHFFFAOYSA-N
XLogP4.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1H-indol-3-yl-(3-methoxythiophen-2-yl)methanone
CID 81127045
(4-fluoronaphthalen-1-yl)-(7-methoxy-2-methyl-1H-indol-3-yl)methanone
CID 19366786
(4-amino-2-methoxyphenyl)-(3-methoxythiophen-2-yl)methanone
CID 113452764
(4-bromophenyl)-(3-methoxythiophen-2-yl)methanone
CID 81127338
(3-methoxythiophen-2-yl)-naphthalen-2-ylmethanone
CID 81118249
methyl 4-(4-fluoronaphthalen-1-yl)-4-oxobutanoate
CID 146006988
(5-bromo-2-methoxy-4-methylphenyl)-(3-methoxythiophen-2-yl)methanone
CID 81127883
2,2-difluoro-1-(3-methoxythiophen-2-yl)ethanone
CID 103513670
(5-methoxy-1H-indol-3-yl)-(3-methoxythiophen-2-yl)methanone
CID 81127463
(4-chloronaphthalen-1-yl)-(3-methylthiophen-2-yl)methanone
CID 79596882
potassium 3-methoxythiophene-2-carboxylate
CID 172727491
1-(3-methoxythiophen-2-yl)butan-1-one
CID 81118922

Frequently Asked Questions

What is the IUPAC name of (4-fluoronaphthalen-1-yl)-(3-methoxythiophen-2-yl)methanone?
The IUPAC name of (4-fluoronaphthalen-1-yl)-(3-methoxythiophen-2-yl)methanone (CID 81127573) is (4-fluoronaphthalen-1-yl)-(3-methoxythiophen-2-yl)methanone.
What is the SMILES notation for (4-fluoronaphthalen-1-yl)-(3-methoxythiophen-2-yl)methanone?
The canonical SMILES for (4-fluoronaphthalen-1-yl)-(3-methoxythiophen-2-yl)methanone is COc1ccsc1C(=O)c1ccc(F)c2ccccc12.
What is the InChIKey of (4-fluoronaphthalen-1-yl)-(3-methoxythiophen-2-yl)methanone?
The InChIKey is YYIKBQYZOLEKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FO2S/c1-19-14-8-9-20-16(14)15(18)12-6-7-13(17)11-5-3-2-4-10(11)12/h2-9H,1H3.
What are the key properties of (4-fluoronaphthalen-1-yl)-(3-methoxythiophen-2-yl)methanone?
(4-fluoronaphthalen-1-yl)-(3-methoxythiophen-2-yl)methanone has a molecular weight of 286.33 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoronaphthalen-1-yl)-(3-methoxythiophen-2-yl)methanone is sourced from PubChem (CID 81127573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).