3-fluoro-2,4,5-tri(propan-2-yl)thiophene

C13H21FS — CID 155737719

IUPAC3-fluoro-2,4,5-tri(propan-2-yl)thiophene
SMILESCC(C)c1sc(C(C)C)c(C(C)C)c1F
InChIInChI=1S/C13H21FS/c1-7(2)10-11(14)13(9(5)6)15-12(10)8(3)4/h7-9H,1-6H3
InChIKeyPVZLQVGYFRBTGA-UHFFFAOYSA-N
MW228.38 g/mol
LogP5.26
Rot. Bonds3

About 3-fluoro-2,4,5-tri(propan-2-yl)thiophene

3-fluoro-2,4,5-tri(propan-2-yl)thiophene (PubChem CID 155737719) has the molecular formula C13H21FS and a molecular weight of 228.38 g/mol. Its IUPAC name is 3-fluoro-2,4,5-tri(propan-2-yl)thiophene.

Molecular Properties

Compound Name3-fluoro-2,4,5-tri(propan-2-yl)thiophene
PubChem CID155737719
Molecular FormulaC13H21FS
Molecular Weight228.38 g/mol
Exact Mass228.13
IUPAC Name3-fluoro-2,4,5-tri(propan-2-yl)thiophene
SMILESCC(C)c1sc(C(C)C)c(C(C)C)c1F
InChIInChI=1S/C13H21FS/c1-7(2)10-11(14)13(9(5)6)15-12(10)8(3)4/h7-9H,1-6H3
InChIKeyPVZLQVGYFRBTGA-UHFFFAOYSA-N
XLogP5.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.38
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2,4,5-tri(propan-2-yl)thiophene?
The IUPAC name of 3-fluoro-2,4,5-tri(propan-2-yl)thiophene (CID 155737719) is 3-fluoro-2,4,5-tri(propan-2-yl)thiophene.
What is the SMILES notation for 3-fluoro-2,4,5-tri(propan-2-yl)thiophene?
The canonical SMILES for 3-fluoro-2,4,5-tri(propan-2-yl)thiophene is CC(C)c1sc(C(C)C)c(C(C)C)c1F.
What is the InChIKey of 3-fluoro-2,4,5-tri(propan-2-yl)thiophene?
The InChIKey is PVZLQVGYFRBTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FS/c1-7(2)10-11(14)13(9(5)6)15-12(10)8(3)4/h7-9H,1-6H3.
What are the key properties of 3-fluoro-2,4,5-tri(propan-2-yl)thiophene?
3-fluoro-2,4,5-tri(propan-2-yl)thiophene has a molecular weight of 228.38 g/mol, XLogP of 5.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2,4,5-tri(propan-2-yl)thiophene is sourced from PubChem (CID 155737719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).