(4-fluorophenyl)-[4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone

C21H15F4NO2S — CID 21264416

IUPAC(4-fluorophenyl)-[4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCc2sccc2C1c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C21H15F4NO2S/c22-15-5-1-14(2-6-15)20(27)26-11-9-18-17(10-12-29-18)19(26)13-3-7-16(8-4-13)28-21(23,24)25/h1-8,10,12,19H,9,11H2
InChIKeyJOMGOMJBRSRHPZ-UHFFFAOYSA-N
MW421.42 g/mol
LogP5.57
Rot. Bonds3

About (4-fluorophenyl)-[4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone

(4-fluorophenyl)-[4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone (PubChem CID 21264416) has the molecular formula C21H15F4NO2S and a molecular weight of 421.42 g/mol. Its IUPAC name is (4-fluorophenyl)-[4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
PubChem CID21264416
Molecular FormulaC21H15F4NO2S
Molecular Weight421.42 g/mol
Exact Mass421.08
IUPAC Name(4-fluorophenyl)-[4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCc2sccc2C1c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C21H15F4NO2S/c22-15-5-1-14(2-6-15)20(27)26-11-9-18-17(10-12-29-18)19(26)13-3-7-16(8-4-13)28-21(23,24)25/h1-8,10,12,19H,9,11H2
InChIKeyJOMGOMJBRSRHPZ-UHFFFAOYSA-N
XLogP5.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.42
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-fluorophenyl)-[(4R)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 7286434
(4-methoxyphenyl)-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 5253149
[4-(trifluoromethyl)phenyl]-[4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 2739402
5-[4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]-1H-pyrazin-2-one
CID 54518869
[(4R)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 6976589
(4-methoxy-3-nitrophenyl)-[4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 59934252
(4-tert-butylphenyl)-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 3877714
[(4R)-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(3-methoxyphenyl)methanone
CID 7417914
1-[4-[4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]phenyl]ethanone
CID 21264414
1,3-benzodioxol-5-yl-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 4004004
1-[(4S)-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 7409512
4-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]benzonitrile
CID 54043297

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone (CID 21264416) is (4-fluorophenyl)-[4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone is O=C(c1ccc(F)cc1)N1CCc2sccc2C1c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of (4-fluorophenyl)-[4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone?
The InChIKey is JOMGOMJBRSRHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F4NO2S/c22-15-5-1-14(2-6-15)20(27)26-11-9-18-17(10-12-29-18)19(26)13-3-7-16(8-4-13)28-21(23,24)25/h1-8,10,12,19H,9,11H2.
What are the key properties of (4-fluorophenyl)-[4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone?
(4-fluorophenyl)-[4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone has a molecular weight of 421.42 g/mol, XLogP of 5.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone is sourced from PubChem (CID 21264416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).