3-(2-ethylhexyl)-4-fluorothiophene

C12H19FS — CID 154013339

IUPAC3-(2-ethylhexyl)-4-fluorothiophene
SMILESCCCCC(CC)Cc1cscc1F
InChIInChI=1S/C12H19FS/c1-3-5-6-10(4-2)7-11-8-14-9-12(11)13/h8-10H,3-7H2,1-2H3
InChIKeyCGVBJPLKMJBULO-UHFFFAOYSA-N
MW214.35 g/mol
LogP4.65
Rot. Bonds6

About 3-(2-ethylhexyl)-4-fluorothiophene

3-(2-ethylhexyl)-4-fluorothiophene (PubChem CID 154013339) has the molecular formula C12H19FS and a molecular weight of 214.35 g/mol. Its IUPAC name is 3-(2-ethylhexyl)-4-fluorothiophene.

Molecular Properties

Compound Name3-(2-ethylhexyl)-4-fluorothiophene
PubChem CID154013339
Molecular FormulaC12H19FS
Molecular Weight214.35 g/mol
Exact Mass214.12
IUPAC Name3-(2-ethylhexyl)-4-fluorothiophene
SMILESCCCCC(CC)Cc1cscc1F
InChIInChI=1S/C12H19FS/c1-3-5-6-10(4-2)7-11-8-14-9-12(11)13/h8-10H,3-7H2,1-2H3
InChIKeyCGVBJPLKMJBULO-UHFFFAOYSA-N
XLogP4.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylhexyl)-4-fluorothiophene?
The IUPAC name of 3-(2-ethylhexyl)-4-fluorothiophene (CID 154013339) is 3-(2-ethylhexyl)-4-fluorothiophene.
What is the SMILES notation for 3-(2-ethylhexyl)-4-fluorothiophene?
The canonical SMILES for 3-(2-ethylhexyl)-4-fluorothiophene is CCCCC(CC)Cc1cscc1F.
What is the InChIKey of 3-(2-ethylhexyl)-4-fluorothiophene?
The InChIKey is CGVBJPLKMJBULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FS/c1-3-5-6-10(4-2)7-11-8-14-9-12(11)13/h8-10H,3-7H2,1-2H3.
What are the key properties of 3-(2-ethylhexyl)-4-fluorothiophene?
3-(2-ethylhexyl)-4-fluorothiophene has a molecular weight of 214.35 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylhexyl)-4-fluorothiophene is sourced from PubChem (CID 154013339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).