2-fluorodec-1-en-3-one

C10H17FO — CID 13447962

IUPAC2-fluorodec-1-en-3-one
SMILESC=C(F)C(=O)CCCCCCC
InChIInChI=1S/C10H17FO/c1-3-4-5-6-7-8-10(12)9(2)11/h2-8H2,1H3
InChIKeyMHKWGQHCCTVQMQ-UHFFFAOYSA-N
MW172.24 g/mol
LogP3.40
Rot. Bonds7

About 2-fluorodec-1-en-3-one

2-fluorodec-1-en-3-one (PubChem CID 13447962) has the molecular formula C10H17FO and a molecular weight of 172.24 g/mol. Its IUPAC name is 2-fluorodec-1-en-3-one.

Molecular Properties

Compound Name2-fluorodec-1-en-3-one
PubChem CID13447962
Molecular FormulaC10H17FO
Molecular Weight172.24 g/mol
Exact Mass172.13
IUPAC Name2-fluorodec-1-en-3-one
SMILESC=C(F)C(=O)CCCCCCC
InChIInChI=1S/C10H17FO/c1-3-4-5-6-7-8-10(12)9(2)11/h2-8H2,1H3
InChIKeyMHKWGQHCCTVQMQ-UHFFFAOYSA-N
XLogP3.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.24
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-fluorodec-1-en-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Pentyl-1-buten-3-one
CID 62218
Non-1-en-3-one
CID 181106
1-Decen-3-one
CID 171530
1-Undecen-3-one
CID 162529
2-Nonanone, 3-methylene-
CID 3017847
1,13-Tetradecadien-3-one
CID 337818
1-Tetradecen-3-one
CID 10013364
1-Dodecen-3-one
CID 12804418
1-Hexadecen-3-one
CID 13310112
Cyclododecanone, 2-methylene-
CID 534631
1-Octadecen-3-one
CID 13599362
Deca-1,2-dien-4-one
CID 20547170

Frequently Asked Questions

What is the IUPAC name of 2-fluorodec-1-en-3-one?
The IUPAC name of 2-fluorodec-1-en-3-one (CID 13447962) is 2-fluorodec-1-en-3-one.
What is the SMILES notation for 2-fluorodec-1-en-3-one?
The canonical SMILES for 2-fluorodec-1-en-3-one is C=C(F)C(=O)CCCCCCC.
What is the InChIKey of 2-fluorodec-1-en-3-one?
The InChIKey is MHKWGQHCCTVQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FO/c1-3-4-5-6-7-8-10(12)9(2)11/h2-8H2,1H3.
What are the key properties of 2-fluorodec-1-en-3-one?
2-fluorodec-1-en-3-one has a molecular weight of 172.24 g/mol, XLogP of 3.40, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluorodec-1-en-3-one is sourced from PubChem (CID 13447962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).