(5-methylthiophen-2-yl)-(2,4,5-trifluorophenyl)methanone

C12H7F3OS — CID 103301284

IUPAC(5-methylthiophen-2-yl)-(2,4,5-trifluorophenyl)methanone
SMILESCc1ccc(C(=O)c2cc(F)c(F)cc2F)s1
InChIInChI=1S/C12H7F3OS/c1-6-2-3-11(17-6)12(16)7-4-9(14)10(15)5-8(7)13/h2-5H,1H3
InChIKeyDARVVZUWIYZBNI-UHFFFAOYSA-N
MW256.25 g/mol
LogP3.70
Rot. Bonds2

About (5-methylthiophen-2-yl)-(2,4,5-trifluorophenyl)methanone

(5-methylthiophen-2-yl)-(2,4,5-trifluorophenyl)methanone (PubChem CID 103301284) has the molecular formula C12H7F3OS and a molecular weight of 256.25 g/mol. Its IUPAC name is (5-methylthiophen-2-yl)-(2,4,5-trifluorophenyl)methanone.

Molecular Properties

Compound Name(5-methylthiophen-2-yl)-(2,4,5-trifluorophenyl)methanone
PubChem CID103301284
Molecular FormulaC12H7F3OS
Molecular Weight256.25 g/mol
Exact Mass256.02
IUPAC Name(5-methylthiophen-2-yl)-(2,4,5-trifluorophenyl)methanone
SMILESCc1ccc(C(=O)c2cc(F)c(F)cc2F)s1
InChIInChI=1S/C12H7F3OS/c1-6-2-3-11(17-6)12(16)7-4-9(14)10(15)5-8(7)13/h2-5H,1H3
InChIKeyDARVVZUWIYZBNI-UHFFFAOYSA-N
XLogP3.70
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(5-bromo-4-methylthiophen-2-yl)-(2,4,5-trifluorophenyl)methanone
CID 103301505
ethane;(2-methylphenyl)-(5-methylthiophen-2-yl)methanone
CID 142970474
(2-chloro-4-methylphenyl)-(5-methylthiophen-2-yl)methanone
CID 106860754
(2-methylsulfanylphenyl)-(5-methylthiophen-2-yl)methanone
CID 79215169
(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(5-methylthiophen-2-yl)methanone
CID 43463549
(5-bromothiophen-2-yl)-(2-fluoro-5-methylphenyl)methanone
CID 62514263
(2,4-difluoro-5-methylphenyl)-(4,5-dimethylthiophen-2-yl)methanone
CID 79732770
(2-chloro-4-methoxyphenyl)-(5-methylthiophen-2-yl)methanone
CID 43561630
(5-chloro-4-methylthiophen-2-yl)-(5-methylthiophen-2-yl)methanone
CID 102762940
(5-iodo-2,3-dihydro-1-benzofuran-7-yl)-(5-methylthiophen-2-yl)methanone
CID 114279701
2-(3,4-difluorophenyl)sulfanyl-1-(5-methylthiophen-2-yl)ethanone
CID 43224978
2,3-dihydro-1-benzofuran-7-yl-(5-methylthiophen-2-yl)methanone
CID 115814343

Frequently Asked Questions

What is the IUPAC name of (5-methylthiophen-2-yl)-(2,4,5-trifluorophenyl)methanone?
The IUPAC name of (5-methylthiophen-2-yl)-(2,4,5-trifluorophenyl)methanone (CID 103301284) is (5-methylthiophen-2-yl)-(2,4,5-trifluorophenyl)methanone.
What is the SMILES notation for (5-methylthiophen-2-yl)-(2,4,5-trifluorophenyl)methanone?
The canonical SMILES for (5-methylthiophen-2-yl)-(2,4,5-trifluorophenyl)methanone is Cc1ccc(C(=O)c2cc(F)c(F)cc2F)s1.
What is the InChIKey of (5-methylthiophen-2-yl)-(2,4,5-trifluorophenyl)methanone?
The InChIKey is DARVVZUWIYZBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3OS/c1-6-2-3-11(17-6)12(16)7-4-9(14)10(15)5-8(7)13/h2-5H,1H3.
What are the key properties of (5-methylthiophen-2-yl)-(2,4,5-trifluorophenyl)methanone?
(5-methylthiophen-2-yl)-(2,4,5-trifluorophenyl)methanone has a molecular weight of 256.25 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylthiophen-2-yl)-(2,4,5-trifluorophenyl)methanone is sourced from PubChem (CID 103301284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).