(3-chloro-6-fluoro-1-benzothiophen-2-yl)-naphthalen-2-ylmethanone

C19H10ClFOS — CID 167440141

IUPAC(3-chloro-6-fluoro-1-benzothiophen-2-yl)-naphthalen-2-ylmethanone
SMILESO=C(c1ccc2ccccc2c1)c1sc2cc(F)ccc2c1Cl
InChIInChI=1S/C19H10ClFOS/c20-17-15-8-7-14(21)10-16(15)23-19(17)18(22)13-6-5-11-3-1-2-4-12(11)9-13/h1-10H
InChIKeyRQYBZMIYHOIHHO-UHFFFAOYSA-N
MW340.81 g/mol
LogP6.08
Rot. Bonds2

About (3-chloro-6-fluoro-1-benzothiophen-2-yl)-naphthalen-2-ylmethanone

(3-chloro-6-fluoro-1-benzothiophen-2-yl)-naphthalen-2-ylmethanone (PubChem CID 167440141) has the molecular formula C19H10ClFOS and a molecular weight of 340.81 g/mol. Its IUPAC name is (3-chloro-6-fluoro-1-benzothiophen-2-yl)-naphthalen-2-ylmethanone.

Molecular Properties

Compound Name(3-chloro-6-fluoro-1-benzothiophen-2-yl)-naphthalen-2-ylmethanone
PubChem CID167440141
Molecular FormulaC19H10ClFOS
Molecular Weight340.81 g/mol
Exact Mass340.01
IUPAC Name(3-chloro-6-fluoro-1-benzothiophen-2-yl)-naphthalen-2-ylmethanone
SMILESO=C(c1ccc2ccccc2c1)c1sc2cc(F)ccc2c1Cl
InChIInChI=1S/C19H10ClFOS/c20-17-15-8-7-14(21)10-16(15)23-19(17)18(22)13-6-5-11-3-1-2-4-12(11)9-13/h1-10H
InChIKeyRQYBZMIYHOIHHO-UHFFFAOYSA-N
XLogP6.08
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.81
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-6-fluoro-1-benzothiophen-2-yl)-naphthalen-2-ylmethanone?
The IUPAC name of (3-chloro-6-fluoro-1-benzothiophen-2-yl)-naphthalen-2-ylmethanone (CID 167440141) is (3-chloro-6-fluoro-1-benzothiophen-2-yl)-naphthalen-2-ylmethanone.
What is the SMILES notation for (3-chloro-6-fluoro-1-benzothiophen-2-yl)-naphthalen-2-ylmethanone?
The canonical SMILES for (3-chloro-6-fluoro-1-benzothiophen-2-yl)-naphthalen-2-ylmethanone is O=C(c1ccc2ccccc2c1)c1sc2cc(F)ccc2c1Cl.
What is the InChIKey of (3-chloro-6-fluoro-1-benzothiophen-2-yl)-naphthalen-2-ylmethanone?
The InChIKey is RQYBZMIYHOIHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10ClFOS/c20-17-15-8-7-14(21)10-16(15)23-19(17)18(22)13-6-5-11-3-1-2-4-12(11)9-13/h1-10H.
What are the key properties of (3-chloro-6-fluoro-1-benzothiophen-2-yl)-naphthalen-2-ylmethanone?
(3-chloro-6-fluoro-1-benzothiophen-2-yl)-naphthalen-2-ylmethanone has a molecular weight of 340.81 g/mol, XLogP of 6.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-6-fluoro-1-benzothiophen-2-yl)-naphthalen-2-ylmethanone is sourced from PubChem (CID 167440141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).