5-fluoro-3-methyl-4-(3-phenylpropyl)-2,3-dihydrothiophene

C14H17FS — CID 15524501

IUPAC5-fluoro-3-methyl-4-(3-phenylpropyl)-2,3-dihydrothiophene
SMILESCC1CSC(F)=C1CCCc1ccccc1
InChIInChI=1S/C14H17FS/c1-11-10-16-14(15)13(11)9-5-8-12-6-3-2-4-7-12/h2-4,6-7,11H,5,8-10H2,1H3
InChIKeyDKHVASIICRPVJL-UHFFFAOYSA-N
MW236.35 g/mol
LogP4.57
Rot. Bonds4

About 5-fluoro-3-methyl-4-(3-phenylpropyl)-2,3-dihydrothiophene

5-fluoro-3-methyl-4-(3-phenylpropyl)-2,3-dihydrothiophene (PubChem CID 15524501) has the molecular formula C14H17FS and a molecular weight of 236.35 g/mol. Its IUPAC name is 5-fluoro-3-methyl-4-(3-phenylpropyl)-2,3-dihydrothiophene.

Molecular Properties

Compound Name5-fluoro-3-methyl-4-(3-phenylpropyl)-2,3-dihydrothiophene
PubChem CID15524501
Molecular FormulaC14H17FS
Molecular Weight236.35 g/mol
Exact Mass236.10
IUPAC Name5-fluoro-3-methyl-4-(3-phenylpropyl)-2,3-dihydrothiophene
SMILESCC1CSC(F)=C1CCCc1ccccc1
InChIInChI=1S/C14H17FS/c1-11-10-16-14(15)13(11)9-5-8-12-6-3-2-4-7-12/h2-4,6-7,11H,5,8-10H2,1H3
InChIKeyDKHVASIICRPVJL-UHFFFAOYSA-N
XLogP4.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-methyl-4-(3-phenylpropyl)-2,3-dihydrothiophene?
The IUPAC name of 5-fluoro-3-methyl-4-(3-phenylpropyl)-2,3-dihydrothiophene (CID 15524501) is 5-fluoro-3-methyl-4-(3-phenylpropyl)-2,3-dihydrothiophene.
What is the SMILES notation for 5-fluoro-3-methyl-4-(3-phenylpropyl)-2,3-dihydrothiophene?
The canonical SMILES for 5-fluoro-3-methyl-4-(3-phenylpropyl)-2,3-dihydrothiophene is CC1CSC(F)=C1CCCc1ccccc1.
What is the InChIKey of 5-fluoro-3-methyl-4-(3-phenylpropyl)-2,3-dihydrothiophene?
The InChIKey is DKHVASIICRPVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FS/c1-11-10-16-14(15)13(11)9-5-8-12-6-3-2-4-7-12/h2-4,6-7,11H,5,8-10H2,1H3.
What are the key properties of 5-fluoro-3-methyl-4-(3-phenylpropyl)-2,3-dihydrothiophene?
5-fluoro-3-methyl-4-(3-phenylpropyl)-2,3-dihydrothiophene has a molecular weight of 236.35 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-methyl-4-(3-phenylpropyl)-2,3-dihydrothiophene is sourced from PubChem (CID 15524501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).