5-fluoro-2,3-dipropylinden-1-one

C15H17FO — CID 132609078

IUPAC5-fluoro-2,3-dipropylinden-1-one
SMILESCCCC1=C(CCC)c2cc(F)ccc2C1=O
InChIInChI=1S/C15H17FO/c1-3-5-11-12(6-4-2)15(17)13-8-7-10(16)9-14(11)13/h7-9H,3-6H2,1-2H3
InChIKeyNMAHOEOSKLCVOZ-UHFFFAOYSA-N
MW232.30 g/mol
LogP4.38
Rot. Bonds4

About 5-fluoro-2,3-dipropylinden-1-one

5-fluoro-2,3-dipropylinden-1-one (PubChem CID 132609078) has the molecular formula C15H17FO and a molecular weight of 232.30 g/mol. Its IUPAC name is 5-fluoro-2,3-dipropylinden-1-one.

Molecular Properties

Compound Name5-fluoro-2,3-dipropylinden-1-one
PubChem CID132609078
Molecular FormulaC15H17FO
Molecular Weight232.30 g/mol
Exact Mass232.13
IUPAC Name5-fluoro-2,3-dipropylinden-1-one
SMILESCCCC1=C(CCC)c2cc(F)ccc2C1=O
InChIInChI=1S/C15H17FO/c1-3-5-11-12(6-4-2)15(17)13-8-7-10(16)9-14(11)13/h7-9H,3-6H2,1-2H3
InChIKeyNMAHOEOSKLCVOZ-UHFFFAOYSA-N
XLogP4.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2,3-dipropylinden-1-one?
The IUPAC name of 5-fluoro-2,3-dipropylinden-1-one (CID 132609078) is 5-fluoro-2,3-dipropylinden-1-one.
What is the SMILES notation for 5-fluoro-2,3-dipropylinden-1-one?
The canonical SMILES for 5-fluoro-2,3-dipropylinden-1-one is CCCC1=C(CCC)c2cc(F)ccc2C1=O.
What is the InChIKey of 5-fluoro-2,3-dipropylinden-1-one?
The InChIKey is NMAHOEOSKLCVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FO/c1-3-5-11-12(6-4-2)15(17)13-8-7-10(16)9-14(11)13/h7-9H,3-6H2,1-2H3.
What are the key properties of 5-fluoro-2,3-dipropylinden-1-one?
5-fluoro-2,3-dipropylinden-1-one has a molecular weight of 232.30 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2,3-dipropylinden-1-one is sourced from PubChem (CID 132609078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).