(2-fluoro-3-methylphenyl)-thiophen-3-ylmethanone

C12H9FOS — CID 114975244

IUPAC(2-fluoro-3-methylphenyl)-thiophen-3-ylmethanone
SMILESCc1cccc(C(=O)c2ccsc2)c1F
InChIInChI=1S/C12H9FOS/c1-8-3-2-4-10(11(8)13)12(14)9-5-6-15-7-9/h2-7H,1H3
InChIKeyULQKAPPZSFJYSB-UHFFFAOYSA-N
MW220.27 g/mol
LogP3.43
Rot. Bonds2

About (2-fluoro-3-methylphenyl)-thiophen-3-ylmethanone

(2-fluoro-3-methylphenyl)-thiophen-3-ylmethanone (PubChem CID 114975244) has the molecular formula C12H9FOS and a molecular weight of 220.27 g/mol. Its IUPAC name is (2-fluoro-3-methylphenyl)-thiophen-3-ylmethanone.

Molecular Properties

Compound Name(2-fluoro-3-methylphenyl)-thiophen-3-ylmethanone
PubChem CID114975244
Molecular FormulaC12H9FOS
Molecular Weight220.27 g/mol
Exact Mass220.04
IUPAC Name(2-fluoro-3-methylphenyl)-thiophen-3-ylmethanone
SMILESCc1cccc(C(=O)c2ccsc2)c1F
InChIInChI=1S/C12H9FOS/c1-8-3-2-4-10(11(8)13)12(14)9-5-6-15-7-9/h2-7H,1H3
InChIKeyULQKAPPZSFJYSB-UHFFFAOYSA-N
XLogP3.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-dimethylphenyl)-(2-fluoro-3-methylphenyl)methanone
CID 81481355
(4-fluoro-2,6-dimethylphenyl)-thiophen-3-ylmethanone
CID 106876967
(2-chloro-4-fluoro-5-methylphenyl)-thiophen-3-ylmethanone
CID 81044879
2-amino-3-(thiophene-3-carbonyl)benzoic acid
CID 70497856
(4-ethylphenyl)-(2-fluoro-3-methylphenyl)methanone
CID 81480205
(3-chlorophenyl)-(2-fluoro-3-methylphenyl)methanone
CID 114964168
(2-benzylphenyl)-thiophen-3-ylmethanone
CID 125474100
(4-amino-3-methylphenyl)-(2-fluoro-3-methylphenyl)methanone
CID 81478857
(4,5-dimethoxy-2-methylphenyl)-thiophen-3-ylmethanone
CID 43626586
(2-fluoro-3-methylphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 114970263
2-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-methylbenzamide
CID 103767187
ethyl 2-[2-(thiophene-3-carbonyl)phenyl]acetate
CID 72946219

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-3-methylphenyl)-thiophen-3-ylmethanone?
The IUPAC name of (2-fluoro-3-methylphenyl)-thiophen-3-ylmethanone (CID 114975244) is (2-fluoro-3-methylphenyl)-thiophen-3-ylmethanone.
What is the SMILES notation for (2-fluoro-3-methylphenyl)-thiophen-3-ylmethanone?
The canonical SMILES for (2-fluoro-3-methylphenyl)-thiophen-3-ylmethanone is Cc1cccc(C(=O)c2ccsc2)c1F.
What is the InChIKey of (2-fluoro-3-methylphenyl)-thiophen-3-ylmethanone?
The InChIKey is ULQKAPPZSFJYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FOS/c1-8-3-2-4-10(11(8)13)12(14)9-5-6-15-7-9/h2-7H,1H3.
What are the key properties of (2-fluoro-3-methylphenyl)-thiophen-3-ylmethanone?
(2-fluoro-3-methylphenyl)-thiophen-3-ylmethanone has a molecular weight of 220.27 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-3-methylphenyl)-thiophen-3-ylmethanone is sourced from PubChem (CID 114975244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).