(3-methylthiophen-2-yl)-[4-(trifluoromethyl)phenyl]methanone

C13H9F3OS — CID 55006814

IUPAC(3-methylthiophen-2-yl)-[4-(trifluoromethyl)phenyl]methanone
SMILESCc1ccsc1C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H9F3OS/c1-8-6-7-18-12(8)11(17)9-2-4-10(5-3-9)13(14,15)16/h2-7H,1H3
InChIKeyMFQROQUKCQJLLA-UHFFFAOYSA-N
MW270.28 g/mol
LogP4.31
Rot. Bonds2

About (3-methylthiophen-2-yl)-[4-(trifluoromethyl)phenyl]methanone

(3-methylthiophen-2-yl)-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 55006814) has the molecular formula C13H9F3OS and a molecular weight of 270.28 g/mol. Its IUPAC name is (3-methylthiophen-2-yl)-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(3-methylthiophen-2-yl)-[4-(trifluoromethyl)phenyl]methanone
PubChem CID55006814
Molecular FormulaC13H9F3OS
Molecular Weight270.28 g/mol
Exact Mass270.03
IUPAC Name(3-methylthiophen-2-yl)-[4-(trifluoromethyl)phenyl]methanone
SMILESCc1ccsc1C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H9F3OS/c1-8-6-7-18-12(8)11(17)9-2-4-10(5-3-9)13(14,15)16/h2-7H,1H3
InChIKeyMFQROQUKCQJLLA-UHFFFAOYSA-N
XLogP4.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-thiazol-2-yl-[4-(trifluoromethyl)phenyl]methanone
CID 10038071
[3-methyl-5-[4-(trifluoromethyl)benzoyl]phenyl]-[4-(trifluoromethyl)phenyl]methanone
CID 90132438
N-[2-acetamido-5-(trifluoromethyl)phenyl]-3-methylthiophene-2-carboxamide
CID 48524891
[3,5-bis[4-(trifluoromethyl)benzoyl]phenyl]-[4-(trifluoromethyl)phenyl]methanone
CID 139681041
(2,4-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanone
CID 43337889
3-chloro-N'-[4-(trifluoromethyl)benzoyl]thiophene-2-carbohydrazide
CID 22147888
(2,5-dimethylthiophen-3-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 43339470
(5-iodothiophen-3-yl)-(3-methylthiophen-2-yl)methanone
CID 79685566
3-methyl-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 7900704
(4-tert-butylthiadiazol-5-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 105095545
3-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]thiophene-2-carbohydrazide
CID 29409132
CID 161391832
CID 161391832

Frequently Asked Questions

What is the IUPAC name of (3-methylthiophen-2-yl)-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (3-methylthiophen-2-yl)-[4-(trifluoromethyl)phenyl]methanone (CID 55006814) is (3-methylthiophen-2-yl)-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (3-methylthiophen-2-yl)-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (3-methylthiophen-2-yl)-[4-(trifluoromethyl)phenyl]methanone is Cc1ccsc1C(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (3-methylthiophen-2-yl)-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is MFQROQUKCQJLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3OS/c1-8-6-7-18-12(8)11(17)9-2-4-10(5-3-9)13(14,15)16/h2-7H,1H3.
What are the key properties of (3-methylthiophen-2-yl)-[4-(trifluoromethyl)phenyl]methanone?
(3-methylthiophen-2-yl)-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 270.28 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylthiophen-2-yl)-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 55006814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).