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

C11H17FS — CID 155400752

IUPAC3-fluoro-4-methyl-2,5-di(propan-2-yl)thiophene
SMILESCc1c(C(C)C)sc(C(C)C)c1F
InChIInChI=1S/C11H17FS/c1-6(2)10-8(5)9(12)11(13-10)7(3)4/h6-7H,1-5H3
InChIKeyYEVBRDIZXBGITO-UHFFFAOYSA-N
MW200.32 g/mol
LogP4.44
Rot. Bonds2

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

3-fluoro-4-methyl-2,5-di(propan-2-yl)thiophene (PubChem CID 155400752) has the molecular formula C11H17FS and a molecular weight of 200.32 g/mol. Its IUPAC name is 3-fluoro-4-methyl-2,5-di(propan-2-yl)thiophene.

Molecular Properties

Compound Name3-fluoro-4-methyl-2,5-di(propan-2-yl)thiophene
PubChem CID155400752
Molecular FormulaC11H17FS
Molecular Weight200.32 g/mol
Exact Mass200.10
IUPAC Name3-fluoro-4-methyl-2,5-di(propan-2-yl)thiophene
SMILESCc1c(C(C)C)sc(C(C)C)c1F
InChIInChI=1S/C11H17FS/c1-6(2)10-8(5)9(12)11(13-10)7(3)4/h6-7H,1-5H3
InChIKeyYEVBRDIZXBGITO-UHFFFAOYSA-N
XLogP4.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-2,5-di(propan-2-yl)thiophene?
The IUPAC name of 3-fluoro-4-methyl-2,5-di(propan-2-yl)thiophene (CID 155400752) is 3-fluoro-4-methyl-2,5-di(propan-2-yl)thiophene.
What is the SMILES notation for 3-fluoro-4-methyl-2,5-di(propan-2-yl)thiophene?
The canonical SMILES for 3-fluoro-4-methyl-2,5-di(propan-2-yl)thiophene is Cc1c(C(C)C)sc(C(C)C)c1F.
What is the InChIKey of 3-fluoro-4-methyl-2,5-di(propan-2-yl)thiophene?
The InChIKey is YEVBRDIZXBGITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FS/c1-6(2)10-8(5)9(12)11(13-10)7(3)4/h6-7H,1-5H3.
What are the key properties of 3-fluoro-4-methyl-2,5-di(propan-2-yl)thiophene?
3-fluoro-4-methyl-2,5-di(propan-2-yl)thiophene has a molecular weight of 200.32 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-2,5-di(propan-2-yl)thiophene is sourced from PubChem (CID 155400752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).