5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl-(2,4,6-trifluorophenyl)methanone

C16H13F3OS — CID 43462933

IUPAC5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl-(2,4,6-trifluorophenyl)methanone
SMILESO=C(c1cc2c(s1)CCCCC2)c1c(F)cc(F)cc1F
InChIInChI=1S/C16H13F3OS/c17-10-7-11(18)15(12(19)8-10)16(20)14-6-9-4-2-1-3-5-13(9)21-14/h6-8H,1-5H2
InChIKeyFYERLBVTXOIMLH-UHFFFAOYSA-N
MW310.34 g/mol
LogP4.67
Rot. Bonds2

About 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl-(2,4,6-trifluorophenyl)methanone

5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl-(2,4,6-trifluorophenyl)methanone (PubChem CID 43462933) has the molecular formula C16H13F3OS and a molecular weight of 310.34 g/mol. Its IUPAC name is 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl-(2,4,6-trifluorophenyl)methanone.

Molecular Properties

Compound Name5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl-(2,4,6-trifluorophenyl)methanone
PubChem CID43462933
Molecular FormulaC16H13F3OS
Molecular Weight310.34 g/mol
Exact Mass310.06
IUPAC Name5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl-(2,4,6-trifluorophenyl)methanone
SMILESO=C(c1cc2c(s1)CCCCC2)c1c(F)cc(F)cc1F
InChIInChI=1S/C16H13F3OS/c17-10-7-11(18)15(12(19)8-10)16(20)14-6-9-4-2-1-3-5-13(9)21-14/h6-8H,1-5H2
InChIKeyFYERLBVTXOIMLH-UHFFFAOYSA-N
XLogP4.67
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl-(2,4,6-trifluorophenyl)methanone with MolForge

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Related Compounds

(2,6-difluorophenyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanone
CID 114972928
(2,6-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone
CID 114972947
bis(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 140811828
4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 25236556
(4-fluoro-3,5-dimethylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 65299563
methyl 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate
CID 3506281
cycloocten-1-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 106655757
(5-bromo-4-fluoro-2-methoxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 103394122
N'-(4-fluorobenzoyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbohydrazide
CID 7946141
(2-fluoro-4-methoxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 43561064
2-(4-fluorophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanone
CID 61079517
2-chloro-2-(4-fluorophenyl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanone
CID 81237876

Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl-(2,4,6-trifluorophenyl)methanone?
The IUPAC name of 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl-(2,4,6-trifluorophenyl)methanone (CID 43462933) is 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl-(2,4,6-trifluorophenyl)methanone.
What is the SMILES notation for 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl-(2,4,6-trifluorophenyl)methanone?
The canonical SMILES for 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl-(2,4,6-trifluorophenyl)methanone is O=C(c1cc2c(s1)CCCCC2)c1c(F)cc(F)cc1F.
What is the InChIKey of 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl-(2,4,6-trifluorophenyl)methanone?
The InChIKey is FYERLBVTXOIMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3OS/c17-10-7-11(18)15(12(19)8-10)16(20)14-6-9-4-2-1-3-5-13(9)21-14/h6-8H,1-5H2.
What are the key properties of 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl-(2,4,6-trifluorophenyl)methanone?
5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl-(2,4,6-trifluorophenyl)methanone has a molecular weight of 310.34 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl-(2,4,6-trifluorophenyl)methanone is sourced from PubChem (CID 43462933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).