(2-amino-4,5-difluorophenyl)-(3,5-dimethylthiophen-2-yl)methanone

C13H11F2NOS — CID 81158203

IUPAC(2-amino-4,5-difluorophenyl)-(3,5-dimethylthiophen-2-yl)methanone
SMILESCc1cc(C)c(C(=O)c2cc(F)c(F)cc2N)s1
InChIInChI=1S/C13H11F2NOS/c1-6-3-7(2)18-13(6)12(17)8-4-9(14)10(15)5-11(8)16/h3-5H,16H2,1-2H3
InChIKeyLKYAFHAGHVIRGB-UHFFFAOYSA-N
MW267.30 g/mol
LogP3.46
Rot. Bonds2

About (2-amino-4,5-difluorophenyl)-(3,5-dimethylthiophen-2-yl)methanone

(2-amino-4,5-difluorophenyl)-(3,5-dimethylthiophen-2-yl)methanone (PubChem CID 81158203) has the molecular formula C13H11F2NOS and a molecular weight of 267.30 g/mol. Its IUPAC name is (2-amino-4,5-difluorophenyl)-(3,5-dimethylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(2-amino-4,5-difluorophenyl)-(3,5-dimethylthiophen-2-yl)methanone
PubChem CID81158203
Molecular FormulaC13H11F2NOS
Molecular Weight267.30 g/mol
Exact Mass267.05
IUPAC Name(2-amino-4,5-difluorophenyl)-(3,5-dimethylthiophen-2-yl)methanone
SMILESCc1cc(C)c(C(=O)c2cc(F)c(F)cc2N)s1
InChIInChI=1S/C13H11F2NOS/c1-6-3-7(2)18-13(6)12(17)8-4-9(14)10(15)5-11(8)16/h3-5H,16H2,1-2H3
InChIKeyLKYAFHAGHVIRGB-UHFFFAOYSA-N
XLogP3.46
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2-aminophenyl)-(3,5-dimethylthiophen-2-yl)methanone
CID 13113637
(2,5-dichlorophenyl)-(3,5-dimethylthiophen-2-yl)methanone
CID 81157333
(3,5-dimethylthiophen-2-yl)-(2,4,5-trimethoxyphenyl)methanone
CID 81160018
(2-chloro-6-fluorophenyl)-(3,5-dimethylthiophen-2-yl)methanone
CID 81156620
(3-chloro-4-fluorophenyl)-(3,5-dimethylthiophen-2-yl)methanone
CID 82875204
(4-bromo-2-methylphenyl)-(3,5-dimethylthiophen-2-yl)methanone
CID 81156986
(2-amino-4,5-difluorophenyl)-(2-chloro-4,5-difluorophenyl)methanone
CID 107477775
2-amino-4,5-difluorobenzamide
CID 16640510
3,5-dimethylthiophene-2-carboxylic acid
CID 819558
2-(2-amino-4,5-difluorophenyl)-2-methyliminoacetic acid
CID 153001758
1-(3-amino-5-methylthiophen-2-yl)ethanone
CID 18731826
(3,5-dimethylthiophen-2-yl)-naphthalen-2-ylmethanone
CID 81156369

Frequently Asked Questions

What is the IUPAC name of (2-amino-4,5-difluorophenyl)-(3,5-dimethylthiophen-2-yl)methanone?
The IUPAC name of (2-amino-4,5-difluorophenyl)-(3,5-dimethylthiophen-2-yl)methanone (CID 81158203) is (2-amino-4,5-difluorophenyl)-(3,5-dimethylthiophen-2-yl)methanone.
What is the SMILES notation for (2-amino-4,5-difluorophenyl)-(3,5-dimethylthiophen-2-yl)methanone?
The canonical SMILES for (2-amino-4,5-difluorophenyl)-(3,5-dimethylthiophen-2-yl)methanone is Cc1cc(C)c(C(=O)c2cc(F)c(F)cc2N)s1.
What is the InChIKey of (2-amino-4,5-difluorophenyl)-(3,5-dimethylthiophen-2-yl)methanone?
The InChIKey is LKYAFHAGHVIRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NOS/c1-6-3-7(2)18-13(6)12(17)8-4-9(14)10(15)5-11(8)16/h3-5H,16H2,1-2H3.
What are the key properties of (2-amino-4,5-difluorophenyl)-(3,5-dimethylthiophen-2-yl)methanone?
(2-amino-4,5-difluorophenyl)-(3,5-dimethylthiophen-2-yl)methanone has a molecular weight of 267.30 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4,5-difluorophenyl)-(3,5-dimethylthiophen-2-yl)methanone is sourced from PubChem (CID 81158203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).