3-fluoro-4-[(E)-3-methylbut-1-enyl]thiophene

C9H11FS — CID 171745114

IUPAC3-fluoro-4-[(E)-3-methylbut-1-enyl]thiophene
SMILESCC(C)/C=C/c1cscc1F
InChIInChI=1S/C9H11FS/c1-7(2)3-4-8-5-11-6-9(8)10/h3-7H,1-2H3/b4-3+
InChIKeyNBLVDEYMBSGSIA-ONEGZZNKSA-N
MW170.25 g/mol
LogP3.56
Rot. Bonds2

About 3-fluoro-4-[(E)-3-methylbut-1-enyl]thiophene

3-fluoro-4-[(E)-3-methylbut-1-enyl]thiophene (PubChem CID 171745114) has the molecular formula C9H11FS and a molecular weight of 170.25 g/mol. Its IUPAC name is 3-fluoro-4-[(E)-3-methylbut-1-enyl]thiophene.

Molecular Properties

Compound Name3-fluoro-4-[(E)-3-methylbut-1-enyl]thiophene
PubChem CID171745114
Molecular FormulaC9H11FS
Molecular Weight170.25 g/mol
Exact Mass170.06
IUPAC Name3-fluoro-4-[(E)-3-methylbut-1-enyl]thiophene
SMILESCC(C)/C=C/c1cscc1F
InChIInChI=1S/C9H11FS/c1-7(2)3-4-8-5-11-6-9(8)10/h3-7H,1-2H3/b4-3+
InChIKeyNBLVDEYMBSGSIA-ONEGZZNKSA-N
XLogP3.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(E)-3-methylbut-1-enyl]thiophene?
The IUPAC name of 3-fluoro-4-[(E)-3-methylbut-1-enyl]thiophene (CID 171745114) is 3-fluoro-4-[(E)-3-methylbut-1-enyl]thiophene.
What is the SMILES notation for 3-fluoro-4-[(E)-3-methylbut-1-enyl]thiophene?
The canonical SMILES for 3-fluoro-4-[(E)-3-methylbut-1-enyl]thiophene is CC(C)/C=C/c1cscc1F.
What is the InChIKey of 3-fluoro-4-[(E)-3-methylbut-1-enyl]thiophene?
The InChIKey is NBLVDEYMBSGSIA-ONEGZZNKSA-N. The full InChI is InChI=1S/C9H11FS/c1-7(2)3-4-8-5-11-6-9(8)10/h3-7H,1-2H3/b4-3+.
What are the key properties of 3-fluoro-4-[(E)-3-methylbut-1-enyl]thiophene?
3-fluoro-4-[(E)-3-methylbut-1-enyl]thiophene has a molecular weight of 170.25 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[(E)-3-methylbut-1-enyl]thiophene is sourced from PubChem (CID 171745114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).