2-fluoro-1-pyrrolidin-1-ylundec-10-en-1-one

C15H26FNO — CID 135391117

IUPAC2-fluoro-1-pyrrolidin-1-ylundec-10-en-1-one
SMILESC=CCCCCCCCC(F)C(=O)N1CCCC1
InChIInChI=1S/C15H26FNO/c1-2-3-4-5-6-7-8-11-14(16)15(18)17-12-9-10-13-17/h2,14H,1,3-13H2
InChIKeyPICLOMSQDQGQFN-UHFFFAOYSA-N
MW255.38 g/mol
LogP3.86
Rot. Bonds9

About 2-fluoro-1-pyrrolidin-1-ylundec-10-en-1-one

2-fluoro-1-pyrrolidin-1-ylundec-10-en-1-one (PubChem CID 135391117) has the molecular formula C15H26FNO and a molecular weight of 255.38 g/mol. Its IUPAC name is 2-fluoro-1-pyrrolidin-1-ylundec-10-en-1-one.

Molecular Properties

Compound Name2-fluoro-1-pyrrolidin-1-ylundec-10-en-1-one
PubChem CID135391117
Molecular FormulaC15H26FNO
Molecular Weight255.38 g/mol
Exact Mass255.20
IUPAC Name2-fluoro-1-pyrrolidin-1-ylundec-10-en-1-one
SMILESC=CCCCCCCCC(F)C(=O)N1CCCC1
InChIInChI=1S/C15H26FNO/c1-2-3-4-5-6-7-8-11-14(16)15(18)17-12-9-10-13-17/h2,14H,1,3-13H2
InChIKeyPICLOMSQDQGQFN-UHFFFAOYSA-N
XLogP3.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-pyrrolidin-1-ylundec-10-en-1-one?
The IUPAC name of 2-fluoro-1-pyrrolidin-1-ylundec-10-en-1-one (CID 135391117) is 2-fluoro-1-pyrrolidin-1-ylundec-10-en-1-one.
What is the SMILES notation for 2-fluoro-1-pyrrolidin-1-ylundec-10-en-1-one?
The canonical SMILES for 2-fluoro-1-pyrrolidin-1-ylundec-10-en-1-one is C=CCCCCCCCC(F)C(=O)N1CCCC1.
What is the InChIKey of 2-fluoro-1-pyrrolidin-1-ylundec-10-en-1-one?
The InChIKey is PICLOMSQDQGQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26FNO/c1-2-3-4-5-6-7-8-11-14(16)15(18)17-12-9-10-13-17/h2,14H,1,3-13H2.
What are the key properties of 2-fluoro-1-pyrrolidin-1-ylundec-10-en-1-one?
2-fluoro-1-pyrrolidin-1-ylundec-10-en-1-one has a molecular weight of 255.38 g/mol, XLogP of 3.86, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-pyrrolidin-1-ylundec-10-en-1-one is sourced from PubChem (CID 135391117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).