5-methyl-4-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine

C9H10F3NS — CID 70254878

IUPAC5-methyl-4-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCN1CCc2sccc2C1C(F)(F)F
InChIInChI=1S/C9H10F3NS/c1-13-4-2-7-6(3-5-14-7)8(13)9(10,11)12/h3,5,8H,2,4H2,1H3
InChIKeyDRHHNENHHAWSAY-UHFFFAOYSA-N
MW221.25 g/mol
LogP2.84
Rot. Bonds

About 5-methyl-4-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine

5-methyl-4-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 70254878) has the molecular formula C9H10F3NS and a molecular weight of 221.25 g/mol. Its IUPAC name is 5-methyl-4-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name5-methyl-4-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID70254878
Molecular FormulaC9H10F3NS
Molecular Weight221.25 g/mol
Exact Mass221.05
IUPAC Name5-methyl-4-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCN1CCc2sccc2C1C(F)(F)F
InChIInChI=1S/C9H10F3NS/c1-13-4-2-7-6(3-5-14-7)8(13)9(10,11)12/h3,5,8H,2,4H2,1H3
InChIKeyDRHHNENHHAWSAY-UHFFFAOYSA-N
XLogP2.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,5,6,7-Tetrahydrothieno(3,2-c)pyridine
CID 3085076
7-methyl-4H,5H,6H,7H-thieno(2,3-c)pyridine
CID 14548169
4,5,6,7-Tetrahydrothieno(3,2-c)pyridinium chloride
CID 10176342
5-[(2-methylphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 3041293
N5,4-dimethyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-5-carbothioamide
CID 2739271
4-ethyl-4H,5H,6H,7H-thieno(3,2-c)pyridine
CID 6485296
4,7,8,9,10,10a-Hexahydro-5H-thieno[2,3-a]quinolizine
CID 14004039
4-[4-(Trifluoromethyl)phenyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 2739390
Thieno(3,2-c)pyridine, 4,5,6,7-tetrahydro-5-(2-phenylethyl)-, monohydrochloride
CID 3041288
Thieno(3,2-c)pyridine, 4,5,6,7-tetrahydro-5-((3-methylphenyl)methyl)-, monohydrochloride
CID 3041294
Thieno(3,2-c)pyridine, 4,5,6,7-tetrahydro-5-((4-methylphenyl)methyl)-, monohydrochloride
CID 3041306
Thieno(3,2-c)pyridine, 4,5,6,7-tetrahydro-5-((4-fluorophenyl)methyl)-, monohydrochloride
CID 3041335

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of 5-methyl-4-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 70254878) is 5-methyl-4-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for 5-methyl-4-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for 5-methyl-4-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine is CN1CCc2sccc2C1C(F)(F)F.
What is the InChIKey of 5-methyl-4-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is DRHHNENHHAWSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NS/c1-13-4-2-7-6(3-5-14-7)8(13)9(10,11)12/h3,5,8H,2,4H2,1H3.
What are the key properties of 5-methyl-4-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
5-methyl-4-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 221.25 g/mol, XLogP of 2.84, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 70254878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).