(4-amino-3-fluorophenyl)-(5-methylthiophen-3-yl)methanone

C12H10FNOS — CID 116547332

IUPAC(4-amino-3-fluorophenyl)-(5-methylthiophen-3-yl)methanone
SMILESCc1cc(C(=O)c2ccc(N)c(F)c2)cs1
InChIInChI=1S/C12H10FNOS/c1-7-4-9(6-16-7)12(15)8-2-3-11(14)10(13)5-8/h2-6H,14H2,1H3
InChIKeyDXMDHXLMBAZMKE-UHFFFAOYSA-N
MW235.28 g/mol
LogP3.01
Rot. Bonds2

About (4-amino-3-fluorophenyl)-(5-methylthiophen-3-yl)methanone

(4-amino-3-fluorophenyl)-(5-methylthiophen-3-yl)methanone (PubChem CID 116547332) has the molecular formula C12H10FNOS and a molecular weight of 235.28 g/mol. Its IUPAC name is (4-amino-3-fluorophenyl)-(5-methylthiophen-3-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-fluorophenyl)-(5-methylthiophen-3-yl)methanone
PubChem CID116547332
Molecular FormulaC12H10FNOS
Molecular Weight235.28 g/mol
Exact Mass235.05
IUPAC Name(4-amino-3-fluorophenyl)-(5-methylthiophen-3-yl)methanone
SMILESCc1cc(C(=O)c2ccc(N)c(F)c2)cs1
InChIInChI=1S/C12H10FNOS/c1-7-4-9(6-16-7)12(15)8-2-3-11(14)10(13)5-8/h2-6H,14H2,1H3
InChIKeyDXMDHXLMBAZMKE-UHFFFAOYSA-N
XLogP3.01
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-amino-3-fluorophenyl)-(5-methylthiophen-3-yl)methanone?
The IUPAC name of (4-amino-3-fluorophenyl)-(5-methylthiophen-3-yl)methanone (CID 116547332) is (4-amino-3-fluorophenyl)-(5-methylthiophen-3-yl)methanone.
What is the SMILES notation for (4-amino-3-fluorophenyl)-(5-methylthiophen-3-yl)methanone?
The canonical SMILES for (4-amino-3-fluorophenyl)-(5-methylthiophen-3-yl)methanone is Cc1cc(C(=O)c2ccc(N)c(F)c2)cs1.
What is the InChIKey of (4-amino-3-fluorophenyl)-(5-methylthiophen-3-yl)methanone?
The InChIKey is DXMDHXLMBAZMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNOS/c1-7-4-9(6-16-7)12(15)8-2-3-11(14)10(13)5-8/h2-6H,14H2,1H3.
What are the key properties of (4-amino-3-fluorophenyl)-(5-methylthiophen-3-yl)methanone?
(4-amino-3-fluorophenyl)-(5-methylthiophen-3-yl)methanone has a molecular weight of 235.28 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-fluorophenyl)-(5-methylthiophen-3-yl)methanone is sourced from PubChem (CID 116547332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).