2-[2,3,5,6-tetrafluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]thiophene

C14H12F4OS — CID 71406143

IUPAC2-[2,3,5,6-tetrafluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]thiophene
SMILESCC(C)(C)Oc1c(F)c(F)c(-c2cccs2)c(F)c1F
InChIInChI=1S/C14H12F4OS/c1-14(2,3)19-13-11(17)9(15)8(10(16)12(13)18)7-5-4-6-20-7/h4-6H,1-3H3
InChIKeyLFVIXGPVPKVDEO-UHFFFAOYSA-N
MW304.31 g/mol
LogP5.15
Rot. Bonds2

About 2-[2,3,5,6-tetrafluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]thiophene

2-[2,3,5,6-tetrafluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]thiophene (PubChem CID 71406143) has the molecular formula C14H12F4OS and a molecular weight of 304.31 g/mol. Its IUPAC name is 2-[2,3,5,6-tetrafluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]thiophene.

Molecular Properties

Compound Name2-[2,3,5,6-tetrafluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]thiophene
PubChem CID71406143
Molecular FormulaC14H12F4OS
Molecular Weight304.31 g/mol
Exact Mass304.05
IUPAC Name2-[2,3,5,6-tetrafluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]thiophene
SMILESCC(C)(C)Oc1c(F)c(F)c(-c2cccs2)c(F)c1F
InChIInChI=1S/C14H12F4OS/c1-14(2,3)19-13-11(17)9(15)8(10(16)12(13)18)7-5-4-6-20-7/h4-6H,1-3H3
InChIKeyLFVIXGPVPKVDEO-UHFFFAOYSA-N
XLogP5.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.31
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2,3,5,6-tetrafluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]thiophene?
The IUPAC name of 2-[2,3,5,6-tetrafluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]thiophene (CID 71406143) is 2-[2,3,5,6-tetrafluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]thiophene.
What is the SMILES notation for 2-[2,3,5,6-tetrafluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]thiophene?
The canonical SMILES for 2-[2,3,5,6-tetrafluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]thiophene is CC(C)(C)Oc1c(F)c(F)c(-c2cccs2)c(F)c1F.
What is the InChIKey of 2-[2,3,5,6-tetrafluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]thiophene?
The InChIKey is LFVIXGPVPKVDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F4OS/c1-14(2,3)19-13-11(17)9(15)8(10(16)12(13)18)7-5-4-6-20-7/h4-6H,1-3H3.
What are the key properties of 2-[2,3,5,6-tetrafluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]thiophene?
2-[2,3,5,6-tetrafluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]thiophene has a molecular weight of 304.31 g/mol, XLogP of 5.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3,5,6-tetrafluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]thiophene is sourced from PubChem (CID 71406143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).