(Z)-18-fluoro-1-pyrrolidin-1-yloctadec-9-en-1-one

C22H40FNO — CID 91705105

IUPAC(Z)-18-fluoro-1-pyrrolidin-1-yloctadec-9-en-1-one
SMILESO=C(CCCCCCC/C=C\CCCCCCCCF)N1CCCC1
InChIInChI=1S/C22H40FNO/c23-19-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-18-22(25)24-20-16-17-21-24/h1-2H,3-21H2/b2-1-
InChIKeyKXFLMLPJVOEGLT-UPHRSURJSA-N
MW353.57 g/mol
LogP6.60
Rot. Bonds16

About (Z)-18-fluoro-1-pyrrolidin-1-yloctadec-9-en-1-one

(Z)-18-fluoro-1-pyrrolidin-1-yloctadec-9-en-1-one (PubChem CID 91705105) has the molecular formula C22H40FNO and a molecular weight of 353.57 g/mol. Its IUPAC name is (Z)-18-fluoro-1-pyrrolidin-1-yloctadec-9-en-1-one.

Molecular Properties

Compound Name(Z)-18-fluoro-1-pyrrolidin-1-yloctadec-9-en-1-one
PubChem CID91705105
Molecular FormulaC22H40FNO
Molecular Weight353.57 g/mol
Exact Mass353.31
IUPAC Name(Z)-18-fluoro-1-pyrrolidin-1-yloctadec-9-en-1-one
SMILESO=C(CCCCCCC/C=C\CCCCCCCCF)N1CCCC1
InChIInChI=1S/C22H40FNO/c23-19-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-18-22(25)24-20-16-17-21-24/h1-2H,3-21H2/b2-1-
InChIKeyKXFLMLPJVOEGLT-UPHRSURJSA-N
XLogP6.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.57
LogP ≤ 56.60
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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Related Compounds

N,N-Dimethyloleamide
CID 5356959
(9Z)-1-(1-Piperidinyl)-9-octadecen-1-one
CID 5356538
9-Octadecenamide, N,N-dibutyl-, (9Z)-
CID 6436342
Pyrrolidine, 1-(1-oxo-9-octadecenyl)-, (Z)-
CID 5370392
(Z)-N,N-Diethyl-9-octadecenamide
CID 6197971
N,N-dipropyloleamide
CID 44270317
(Z)-N-methyl-N-propan-2-yloctadec-9-enamide
CID 44270372
Pyrrolidine Linoleamide
CID 46934879
N-octadec-9-enoylpyrrolidine
CID 574882
N,N-Dimethyloctadeca-9,12-dienamide
CID 53437364
(5Z,8Z,11Z,14Z)-1-pyrrolidin-1-ylicosa-5,8,11,14-tetraen-1-one
CID 44270398
1-Pyrrolidin-1-ylhexadec-4-en-1-one
CID 163192567

Frequently Asked Questions

What is the IUPAC name of (Z)-18-fluoro-1-pyrrolidin-1-yloctadec-9-en-1-one?
The IUPAC name of (Z)-18-fluoro-1-pyrrolidin-1-yloctadec-9-en-1-one (CID 91705105) is (Z)-18-fluoro-1-pyrrolidin-1-yloctadec-9-en-1-one.
What is the SMILES notation for (Z)-18-fluoro-1-pyrrolidin-1-yloctadec-9-en-1-one?
The canonical SMILES for (Z)-18-fluoro-1-pyrrolidin-1-yloctadec-9-en-1-one is O=C(CCCCCCC/C=C\CCCCCCCCF)N1CCCC1.
What is the InChIKey of (Z)-18-fluoro-1-pyrrolidin-1-yloctadec-9-en-1-one?
The InChIKey is KXFLMLPJVOEGLT-UPHRSURJSA-N. The full InChI is InChI=1S/C22H40FNO/c23-19-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-18-22(25)24-20-16-17-21-24/h1-2H,3-21H2/b2-1-.
What are the key properties of (Z)-18-fluoro-1-pyrrolidin-1-yloctadec-9-en-1-one?
(Z)-18-fluoro-1-pyrrolidin-1-yloctadec-9-en-1-one has a molecular weight of 353.57 g/mol, XLogP of 6.60, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-18-fluoro-1-pyrrolidin-1-yloctadec-9-en-1-one is sourced from PubChem (CID 91705105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).