(5-aminothiophen-2-yl)-(4-fluorophenyl)methanone

C11H8FNOS — CID 82161779

IUPAC(5-aminothiophen-2-yl)-(4-fluorophenyl)methanone
SMILESNc1ccc(C(=O)c2ccc(F)cc2)s1
InChIInChI=1S/C11H8FNOS/c12-8-3-1-7(2-4-8)11(14)9-5-6-10(13)15-9/h1-6H,13H2
InChIKeyGKFICSMQWMVQBB-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.70
Rot. Bonds2

About (5-aminothiophen-2-yl)-(4-fluorophenyl)methanone

(5-aminothiophen-2-yl)-(4-fluorophenyl)methanone (PubChem CID 82161779) has the molecular formula C11H8FNOS and a molecular weight of 221.26 g/mol. Its IUPAC name is (5-aminothiophen-2-yl)-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name(5-aminothiophen-2-yl)-(4-fluorophenyl)methanone
PubChem CID82161779
Molecular FormulaC11H8FNOS
Molecular Weight221.26 g/mol
Exact Mass221.03
IUPAC Name(5-aminothiophen-2-yl)-(4-fluorophenyl)methanone
SMILESNc1ccc(C(=O)c2ccc(F)cc2)s1
InChIInChI=1S/C11H8FNOS/c12-8-3-1-7(2-4-8)11(14)9-5-6-10(13)15-9/h1-6H,13H2
InChIKeyGKFICSMQWMVQBB-UHFFFAOYSA-N
XLogP2.70
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-aminothiophen-2-yl)-(4-fluorophenyl)methanone?
The IUPAC name of (5-aminothiophen-2-yl)-(4-fluorophenyl)methanone (CID 82161779) is (5-aminothiophen-2-yl)-(4-fluorophenyl)methanone.
What is the SMILES notation for (5-aminothiophen-2-yl)-(4-fluorophenyl)methanone?
The canonical SMILES for (5-aminothiophen-2-yl)-(4-fluorophenyl)methanone is Nc1ccc(C(=O)c2ccc(F)cc2)s1.
What is the InChIKey of (5-aminothiophen-2-yl)-(4-fluorophenyl)methanone?
The InChIKey is GKFICSMQWMVQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNOS/c12-8-3-1-7(2-4-8)11(14)9-5-6-10(13)15-9/h1-6H,13H2.
What are the key properties of (5-aminothiophen-2-yl)-(4-fluorophenyl)methanone?
(5-aminothiophen-2-yl)-(4-fluorophenyl)methanone has a molecular weight of 221.26 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-aminothiophen-2-yl)-(4-fluorophenyl)methanone is sourced from PubChem (CID 82161779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).