(4-bromothiophen-3-yl)-(4-fluoronaphthalen-1-yl)methanone

C15H8BrFOS — CID 114088321

IUPAC(4-bromothiophen-3-yl)-(4-fluoronaphthalen-1-yl)methanone
SMILESO=C(c1cscc1Br)c1ccc(F)c2ccccc12
InChIInChI=1S/C15H8BrFOS/c16-13-8-19-7-12(13)15(18)11-5-6-14(17)10-4-2-1-3-9(10)11/h1-8H
InChIKeyQHDFMYHWOCDIMJ-UHFFFAOYSA-N
MW335.20 g/mol
LogP5.03
Rot. Bonds2

About (4-bromothiophen-3-yl)-(4-fluoronaphthalen-1-yl)methanone

(4-bromothiophen-3-yl)-(4-fluoronaphthalen-1-yl)methanone (PubChem CID 114088321) has the molecular formula C15H8BrFOS and a molecular weight of 335.20 g/mol. Its IUPAC name is (4-bromothiophen-3-yl)-(4-fluoronaphthalen-1-yl)methanone.

Molecular Properties

Compound Name(4-bromothiophen-3-yl)-(4-fluoronaphthalen-1-yl)methanone
PubChem CID114088321
Molecular FormulaC15H8BrFOS
Molecular Weight335.20 g/mol
Exact Mass333.95
IUPAC Name(4-bromothiophen-3-yl)-(4-fluoronaphthalen-1-yl)methanone
SMILESO=C(c1cscc1Br)c1ccc(F)c2ccccc12
InChIInChI=1S/C15H8BrFOS/c16-13-8-19-7-12(13)15(18)11-5-6-14(17)10-4-2-1-3-9(10)11/h1-8H
InChIKeyQHDFMYHWOCDIMJ-UHFFFAOYSA-N
XLogP5.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.20
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromothiophen-3-yl)-(2,3,4-trifluorophenyl)methanone
CID 115784139
(4-bromothiophen-3-yl)-(4-chloro-2-fluorophenyl)methanone
CID 79595945
(4-bromonaphthalen-1-yl)-(4-methylthiophen-3-yl)methanone
CID 79802342
(3-bromo-4-fluorophenyl)-(4-bromothiophen-3-yl)methanone
CID 82808642
(4-bromothiophen-3-yl)-(3-chloro-4-fluorophenyl)methanone
CID 79596049
(4-methylnaphthalen-1-yl)-(4-methylthiophen-3-yl)methanone
CID 79803418
N'-acetyl-4-fluoronaphthalene-1-carbohydrazide
CID 114088219
(2-amino-5-methylphenyl)-(4-bromothiophen-3-yl)methanone
CID 116581434
(3-bromo-4-fluorophenyl)-(4-methylnaphthalen-1-yl)methanone
CID 107949912
2,2,2-trichloro-1-(4-fluoronaphthalen-1-yl)ethanone
CID 146006982
(3-bromophenyl)-(4-bromothiophen-3-yl)methanone
CID 10831406
(4-fluoronaphthalen-1-yl)-(3-methoxythiophen-2-yl)methanone
CID 81127573

Frequently Asked Questions

What is the IUPAC name of (4-bromothiophen-3-yl)-(4-fluoronaphthalen-1-yl)methanone?
The IUPAC name of (4-bromothiophen-3-yl)-(4-fluoronaphthalen-1-yl)methanone (CID 114088321) is (4-bromothiophen-3-yl)-(4-fluoronaphthalen-1-yl)methanone.
What is the SMILES notation for (4-bromothiophen-3-yl)-(4-fluoronaphthalen-1-yl)methanone?
The canonical SMILES for (4-bromothiophen-3-yl)-(4-fluoronaphthalen-1-yl)methanone is O=C(c1cscc1Br)c1ccc(F)c2ccccc12.
What is the InChIKey of (4-bromothiophen-3-yl)-(4-fluoronaphthalen-1-yl)methanone?
The InChIKey is QHDFMYHWOCDIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrFOS/c16-13-8-19-7-12(13)15(18)11-5-6-14(17)10-4-2-1-3-9(10)11/h1-8H.
What are the key properties of (4-bromothiophen-3-yl)-(4-fluoronaphthalen-1-yl)methanone?
(4-bromothiophen-3-yl)-(4-fluoronaphthalen-1-yl)methanone has a molecular weight of 335.20 g/mol, XLogP of 5.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromothiophen-3-yl)-(4-fluoronaphthalen-1-yl)methanone is sourced from PubChem (CID 114088321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).