3-(2-fluoropentyl)-5-methyl-2,3-dihydrothiophene

C10H17FS — CID 137417226

IUPAC3-(2-fluoropentyl)-5-methyl-2,3-dihydrothiophene
SMILESCCCC(F)CC1C=C(C)SC1
InChIInChI=1S/C10H17FS/c1-3-4-10(11)6-9-5-8(2)12-7-9/h5,9-10H,3-4,6-7H2,1-2H3
InChIKeyVJOIRUPHYMADPH-UHFFFAOYSA-N
MW188.31 g/mol
LogP3.78
Rot. Bonds4

About 3-(2-fluoropentyl)-5-methyl-2,3-dihydrothiophene

3-(2-fluoropentyl)-5-methyl-2,3-dihydrothiophene (PubChem CID 137417226) has the molecular formula C10H17FS and a molecular weight of 188.31 g/mol. Its IUPAC name is 3-(2-fluoropentyl)-5-methyl-2,3-dihydrothiophene.

Molecular Properties

Compound Name3-(2-fluoropentyl)-5-methyl-2,3-dihydrothiophene
PubChem CID137417226
Molecular FormulaC10H17FS
Molecular Weight188.31 g/mol
Exact Mass188.10
IUPAC Name3-(2-fluoropentyl)-5-methyl-2,3-dihydrothiophene
SMILESCCCC(F)CC1C=C(C)SC1
InChIInChI=1S/C10H17FS/c1-3-4-10(11)6-9-5-8(2)12-7-9/h5,9-10H,3-4,6-7H2,1-2H3
InChIKeyVJOIRUPHYMADPH-UHFFFAOYSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoropentyl)-5-methyl-2,3-dihydrothiophene?
The IUPAC name of 3-(2-fluoropentyl)-5-methyl-2,3-dihydrothiophene (CID 137417226) is 3-(2-fluoropentyl)-5-methyl-2,3-dihydrothiophene.
What is the SMILES notation for 3-(2-fluoropentyl)-5-methyl-2,3-dihydrothiophene?
The canonical SMILES for 3-(2-fluoropentyl)-5-methyl-2,3-dihydrothiophene is CCCC(F)CC1C=C(C)SC1.
What is the InChIKey of 3-(2-fluoropentyl)-5-methyl-2,3-dihydrothiophene?
The InChIKey is VJOIRUPHYMADPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FS/c1-3-4-10(11)6-9-5-8(2)12-7-9/h5,9-10H,3-4,6-7H2,1-2H3.
What are the key properties of 3-(2-fluoropentyl)-5-methyl-2,3-dihydrothiophene?
3-(2-fluoropentyl)-5-methyl-2,3-dihydrothiophene has a molecular weight of 188.31 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoropentyl)-5-methyl-2,3-dihydrothiophene is sourced from PubChem (CID 137417226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).