2-methyl-5-phenyl-3-(4,4,5,5-tetrafluoro-2-methylcyclopenten-1-yl)thiophene

C17H14F4S — CID 143334929

IUPAC2-methyl-5-phenyl-3-(4,4,5,5-tetrafluoro-2-methylcyclopenten-1-yl)thiophene
SMILESCC1=C(c2cc(-c3ccccc3)sc2C)C(F)(F)C(F)(F)C1
InChIInChI=1S/C17H14F4S/c1-10-9-16(18,19)17(20,21)15(10)13-8-14(22-11(13)2)12-6-4-3-5-7-12/h3-8H,9H2,1-2H3
InChIKeyGXNPUNPJJYQJSE-UHFFFAOYSA-N
MW326.36 g/mol
LogP6.17
Rot. Bonds2

About 2-methyl-5-phenyl-3-(4,4,5,5-tetrafluoro-2-methylcyclopenten-1-yl)thiophene

2-methyl-5-phenyl-3-(4,4,5,5-tetrafluoro-2-methylcyclopenten-1-yl)thiophene (PubChem CID 143334929) has the molecular formula C17H14F4S and a molecular weight of 326.36 g/mol. Its IUPAC name is 2-methyl-5-phenyl-3-(4,4,5,5-tetrafluoro-2-methylcyclopenten-1-yl)thiophene.

Molecular Properties

Compound Name2-methyl-5-phenyl-3-(4,4,5,5-tetrafluoro-2-methylcyclopenten-1-yl)thiophene
PubChem CID143334929
Molecular FormulaC17H14F4S
Molecular Weight326.36 g/mol
Exact Mass326.08
IUPAC Name2-methyl-5-phenyl-3-(4,4,5,5-tetrafluoro-2-methylcyclopenten-1-yl)thiophene
SMILESCC1=C(c2cc(-c3ccccc3)sc2C)C(F)(F)C(F)(F)C1
InChIInChI=1S/C17H14F4S/c1-10-9-16(18,19)17(20,21)15(10)13-8-14(22-11(13)2)12-6-4-3-5-7-12/h3-8H,9H2,1-2H3
InChIKeyGXNPUNPJJYQJSE-UHFFFAOYSA-N
XLogP6.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.36
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

5-[4-(2,4-diphenylphenyl)phenyl]-3-[2-[5-[4-(2,4-diphenylphenyl)phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2-methylthiophene
CID 134393777
3-[3,3,4,4,5,5-hexafluoro-2-[5-[5-[5-[5-[5-[4-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-phenylthiophen-3-yl)cyclopenten-1-yl]-5-methylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-2-methylthiophen-3-yl]cyclopenten-1-yl]-2-methyl-5-phenylthiophene
CID 102279973
3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-phenylthiophen-3-yl)cyclopentene-1-carbaldehyde
CID 59420013
3-[3,3,4,4,5,5-hexafluoro-2-[2-(trifluoromethyl)phenyl]cyclopenten-1-yl]-2-methyl-5-phenylthiophene
CID 102577266
2-methyl-3-[2-(2-methyl-5-phenylthiophen-3-yl)phenyl]-5-phenylthiophene
CID 90888254
2-[4-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-phenylthiophen-3-yl)cyclopenten-1-yl]-5-methylthiophen-2-yl]pyridine
CID 102162968
triethyl-[3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-phenylthiophen-3-yl)cyclopenten-1-yl]-5-phenylthiophen-2-yl]silane
CID 156711255
2,5-diethynyl-3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-phenylthiophen-3-yl)cyclopenten-1-yl]-4-methylthiophene
CID 102497315
5-(4-bromophenyl)-2-methyl-3-phenylthiophene
CID 156768567
nonan-2-yl 4-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-(4-phenylphenyl)thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophene-2-carboxylate
CID 101384556
3-[4-[4-[2-[5-(4-butoxyphenyl)-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]phenoxy]propan-1-amine
CID 157115961
2-[3,3,4,4,5,5-hexafluoro-2-(3-methyl-5-phenylthiophen-2-yl)cyclopenten-1-yl]-3-methyl-5-phenylthiophene
CID 101101183

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-phenyl-3-(4,4,5,5-tetrafluoro-2-methylcyclopenten-1-yl)thiophene?
The IUPAC name of 2-methyl-5-phenyl-3-(4,4,5,5-tetrafluoro-2-methylcyclopenten-1-yl)thiophene (CID 143334929) is 2-methyl-5-phenyl-3-(4,4,5,5-tetrafluoro-2-methylcyclopenten-1-yl)thiophene.
What is the SMILES notation for 2-methyl-5-phenyl-3-(4,4,5,5-tetrafluoro-2-methylcyclopenten-1-yl)thiophene?
The canonical SMILES for 2-methyl-5-phenyl-3-(4,4,5,5-tetrafluoro-2-methylcyclopenten-1-yl)thiophene is CC1=C(c2cc(-c3ccccc3)sc2C)C(F)(F)C(F)(F)C1.
What is the InChIKey of 2-methyl-5-phenyl-3-(4,4,5,5-tetrafluoro-2-methylcyclopenten-1-yl)thiophene?
The InChIKey is GXNPUNPJJYQJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F4S/c1-10-9-16(18,19)17(20,21)15(10)13-8-14(22-11(13)2)12-6-4-3-5-7-12/h3-8H,9H2,1-2H3.
What are the key properties of 2-methyl-5-phenyl-3-(4,4,5,5-tetrafluoro-2-methylcyclopenten-1-yl)thiophene?
2-methyl-5-phenyl-3-(4,4,5,5-tetrafluoro-2-methylcyclopenten-1-yl)thiophene has a molecular weight of 326.36 g/mol, XLogP of 6.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-phenyl-3-(4,4,5,5-tetrafluoro-2-methylcyclopenten-1-yl)thiophene is sourced from PubChem (CID 143334929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).