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

C14H17FO — CID 15524505

IUPAC5-fluoro-3-methyl-4-(2-phenylpropyl)-2,3-dihydrofuran
SMILESCC1COC(F)=C1CC(C)c1ccccc1
InChIInChI=1S/C14H17FO/c1-10(12-6-4-3-5-7-12)8-13-11(2)9-16-14(13)15/h3-7,10-11H,8-9H2,1-2H3
InChIKeyHVUCRQOQZODWMO-UHFFFAOYSA-N
MW220.29 g/mol
LogP4.03
Rot. Bonds3

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

5-fluoro-3-methyl-4-(2-phenylpropyl)-2,3-dihydrofuran (PubChem CID 15524505) has the molecular formula C14H17FO and a molecular weight of 220.29 g/mol. Its IUPAC name is 5-fluoro-3-methyl-4-(2-phenylpropyl)-2,3-dihydrofuran.

Molecular Properties

Compound Name5-fluoro-3-methyl-4-(2-phenylpropyl)-2,3-dihydrofuran
PubChem CID15524505
Molecular FormulaC14H17FO
Molecular Weight220.29 g/mol
Exact Mass220.13
IUPAC Name5-fluoro-3-methyl-4-(2-phenylpropyl)-2,3-dihydrofuran
SMILESCC1COC(F)=C1CC(C)c1ccccc1
InChIInChI=1S/C14H17FO/c1-10(12-6-4-3-5-7-12)8-13-11(2)9-16-14(13)15/h3-7,10-11H,8-9H2,1-2H3
InChIKeyHVUCRQOQZODWMO-UHFFFAOYSA-N
XLogP4.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 54.03
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-(2-phenylpropyl)-2,3-dihydrofuran?
The IUPAC name of 5-fluoro-3-methyl-4-(2-phenylpropyl)-2,3-dihydrofuran (CID 15524505) is 5-fluoro-3-methyl-4-(2-phenylpropyl)-2,3-dihydrofuran.
What is the SMILES notation for 5-fluoro-3-methyl-4-(2-phenylpropyl)-2,3-dihydrofuran?
The canonical SMILES for 5-fluoro-3-methyl-4-(2-phenylpropyl)-2,3-dihydrofuran is CC1COC(F)=C1CC(C)c1ccccc1.
What is the InChIKey of 5-fluoro-3-methyl-4-(2-phenylpropyl)-2,3-dihydrofuran?
The InChIKey is HVUCRQOQZODWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO/c1-10(12-6-4-3-5-7-12)8-13-11(2)9-16-14(13)15/h3-7,10-11H,8-9H2,1-2H3.
What are the key properties of 5-fluoro-3-methyl-4-(2-phenylpropyl)-2,3-dihydrofuran?
5-fluoro-3-methyl-4-(2-phenylpropyl)-2,3-dihydrofuran has a molecular weight of 220.29 g/mol, XLogP of 4.03, 3 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-(2-phenylpropyl)-2,3-dihydrofuran is sourced from PubChem (CID 15524505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).