(3S)-3-fluoro-2-propylpent-1-en-1-one

C8H13FO — CID 166075788

IUPAC(3S)-3-fluoro-2-propylpent-1-en-1-one
SMILESCCCC(=C=O)[C@@H](F)CC
InChIInChI=1S/C8H13FO/c1-3-5-7(6-10)8(9)4-2/h8H,3-5H2,1-2H3/t8-/m0/s1
InChIKeyLQARQEIQJVBGGG-QMMMGPOBSA-N
MW144.19 g/mol
LogP2.29
Rot. Bonds4

About (3S)-3-fluoro-2-propylpent-1-en-1-one

(3S)-3-fluoro-2-propylpent-1-en-1-one (PubChem CID 166075788) has the molecular formula C8H13FO and a molecular weight of 144.19 g/mol. Its IUPAC name is (3S)-3-fluoro-2-propylpent-1-en-1-one.

Molecular Properties

Compound Name(3S)-3-fluoro-2-propylpent-1-en-1-one
PubChem CID166075788
Molecular FormulaC8H13FO
Molecular Weight144.19 g/mol
Exact Mass144.10
IUPAC Name(3S)-3-fluoro-2-propylpent-1-en-1-one
SMILESCCCC(=C=O)[C@@H](F)CC
InChIInChI=1S/C8H13FO/c1-3-5-7(6-10)8(9)4-2/h8H,3-5H2,1-2H3/t8-/m0/s1
InChIKeyLQARQEIQJVBGGG-QMMMGPOBSA-N
XLogP2.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ketene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-fluoro-2-propylpent-1-en-1-one?
The IUPAC name of (3S)-3-fluoro-2-propylpent-1-en-1-one (CID 166075788) is (3S)-3-fluoro-2-propylpent-1-en-1-one.
What is the SMILES notation for (3S)-3-fluoro-2-propylpent-1-en-1-one?
The canonical SMILES for (3S)-3-fluoro-2-propylpent-1-en-1-one is CCCC(=C=O)[C@@H](F)CC.
What is the InChIKey of (3S)-3-fluoro-2-propylpent-1-en-1-one?
The InChIKey is LQARQEIQJVBGGG-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H13FO/c1-3-5-7(6-10)8(9)4-2/h8H,3-5H2,1-2H3/t8-/m0/s1.
What are the key properties of (3S)-3-fluoro-2-propylpent-1-en-1-one?
(3S)-3-fluoro-2-propylpent-1-en-1-one has a molecular weight of 144.19 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-fluoro-2-propylpent-1-en-1-one is sourced from PubChem (CID 166075788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).