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

C16H16F3NS — CID 20546705

IUPAC2,6-dimethyl-4-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine
SMILESCc1cc2c(s1)CN(C)CC2c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H16F3NS/c1-10-6-13-14(8-20(2)9-15(13)21-10)11-4-3-5-12(7-11)16(17,18)19/h3-7,14H,8-9H2,1-2H3
InChIKeyOFPDSQNLOCJZMB-UHFFFAOYSA-N
MW311.37 g/mol
LogP4.65
Rot. Bonds1

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

2,6-dimethyl-4-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine (PubChem CID 20546705) has the molecular formula C16H16F3NS and a molecular weight of 311.37 g/mol. Its IUPAC name is 2,6-dimethyl-4-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine.

Molecular Properties

Compound Name2,6-dimethyl-4-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine
PubChem CID20546705
Molecular FormulaC16H16F3NS
Molecular Weight311.37 g/mol
Exact Mass311.10
IUPAC Name2,6-dimethyl-4-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine
SMILESCc1cc2c(s1)CN(C)CC2c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H16F3NS/c1-10-6-13-14(8-20(2)9-15(13)21-10)11-4-3-5-12(7-11)16(17,18)19/h3-7,14H,8-9H2,1-2H3
InChIKeyOFPDSQNLOCJZMB-UHFFFAOYSA-N
XLogP4.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-3-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrrolo[3,2-c]pyridine
CID 167629812
(6-methyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)methanol
CID 13210741
1-methyl-3-[3-(trifluoromethyl)phenyl]pyrrolidine
CID 18722940
1-methyl-4-[3-(trifluoromethyl)phenyl]piperidine
CID 18722963
(5S)-9-bromo-3-methyl-5-[3-(trifluoromethyl)phenyl]-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol
CID 57340518
2-bromo-6-methyl-4-(4-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride
CID 54587608
4-(2-fluoro-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-4-yl)benzene-1,2-diol;hydrochloride
CID 21162134
1-methyl-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 90179148
3-[(4R)-2-methyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-3-oxopropanenitrile
CID 155140687
1-[(4S)-2-methyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]prop-2-en-1-one
CID 155698273
methyl 1-methyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylate
CID 134162390
1-cyclopropyl-3-(trifluoromethyl)benzene
CID 12509713

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine?
The IUPAC name of 2,6-dimethyl-4-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine (CID 20546705) is 2,6-dimethyl-4-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine.
What is the SMILES notation for 2,6-dimethyl-4-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine?
The canonical SMILES for 2,6-dimethyl-4-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine is Cc1cc2c(s1)CN(C)CC2c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2,6-dimethyl-4-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine?
The InChIKey is OFPDSQNLOCJZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NS/c1-10-6-13-14(8-20(2)9-15(13)21-10)11-4-3-5-12(7-11)16(17,18)19/h3-7,14H,8-9H2,1-2H3.
What are the key properties of 2,6-dimethyl-4-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine?
2,6-dimethyl-4-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine has a molecular weight of 311.37 g/mol, XLogP of 4.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine is sourced from PubChem (CID 20546705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).