(4-amino-3-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone

C12H9ClFNOS — CID 102765207

IUPAC(4-amino-3-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone
SMILESCc1cc(C(=O)c2ccc(N)c(F)c2)sc1Cl
InChIInChI=1S/C12H9ClFNOS/c1-6-4-10(17-12(6)13)11(16)7-2-3-9(15)8(14)5-7/h2-5H,15H2,1H3
InChIKeyTTZJOEWYYJRVCQ-UHFFFAOYSA-N
MW269.73 g/mol
LogP3.66
Rot. Bonds2

About (4-amino-3-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone

(4-amino-3-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone (PubChem CID 102765207) has the molecular formula C12H9ClFNOS and a molecular weight of 269.73 g/mol. Its IUPAC name is (4-amino-3-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone
PubChem CID102765207
Molecular FormulaC12H9ClFNOS
Molecular Weight269.73 g/mol
Exact Mass269.01
IUPAC Name(4-amino-3-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone
SMILESCc1cc(C(=O)c2ccc(N)c(F)c2)sc1Cl
InChIInChI=1S/C12H9ClFNOS/c1-6-4-10(17-12(6)13)11(16)7-2-3-9(15)8(14)5-7/h2-5H,15H2,1H3
InChIKeyTTZJOEWYYJRVCQ-UHFFFAOYSA-N
XLogP3.66
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 53.66
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-chloro-4-methylthiophen-2-yl)methanone?
The IUPAC name of (4-amino-3-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone (CID 102765207) is (4-amino-3-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone.
What is the SMILES notation for (4-amino-3-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone?
The canonical SMILES for (4-amino-3-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone is Cc1cc(C(=O)c2ccc(N)c(F)c2)sc1Cl.
What is the InChIKey of (4-amino-3-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone?
The InChIKey is TTZJOEWYYJRVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFNOS/c1-6-4-10(17-12(6)13)11(16)7-2-3-9(15)8(14)5-7/h2-5H,15H2,1H3.
What are the key properties of (4-amino-3-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone?
(4-amino-3-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone has a molecular weight of 269.73 g/mol, XLogP of 3.66, 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-chloro-4-methylthiophen-2-yl)methanone is sourced from PubChem (CID 102765207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).