[(Z)-13-carboxy-13-fluorotridec-12-enyl]azanium

C14H27FNO2+ — CID 59498633

IUPAC[(Z)-13-carboxy-13-fluorotridec-12-enyl]azanium
SMILES[NH3+]CCCCCCCCCCC/C=C(\F)C(=O)O
InChIInChI=1S/C14H26FNO2/c15-13(14(17)18)11-9-7-5-3-1-2-4-6-8-10-12-16/h11H,1-10,12,16H2,(H,17,18)/p+1/b13-11-
InChIKeyLOQPQQDSLFWKLD-QBFSEMIESA-O
MW260.37 g/mol
LogP3.07
Rot. Bonds12

About [(Z)-13-carboxy-13-fluorotridec-12-enyl]azanium

[(Z)-13-carboxy-13-fluorotridec-12-enyl]azanium (PubChem CID 59498633) has the molecular formula C14H27FNO2+ and a molecular weight of 260.37 g/mol. Its IUPAC name is [(Z)-13-carboxy-13-fluorotridec-12-enyl]azanium.

Molecular Properties

Compound Name[(Z)-13-carboxy-13-fluorotridec-12-enyl]azanium
PubChem CID59498633
Molecular FormulaC14H27FNO2+
Molecular Weight260.37 g/mol
Exact Mass260.20
IUPAC Name[(Z)-13-carboxy-13-fluorotridec-12-enyl]azanium
SMILES[NH3+]CCCCCCCCCCC/C=C(\F)C(=O)O
InChIInChI=1S/C14H26FNO2/c15-13(14(17)18)11-9-7-5-3-1-2-4-6-8-10-12-16/h11H,1-10,12,16H2,(H,17,18)/p+1/b13-11-
InChIKeyLOQPQQDSLFWKLD-QBFSEMIESA-O
XLogP3.07
TPSA64.94 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 53.07
H-Bond Donors ≤ 52
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'}

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Related Compounds

11-Aminoundecenoic acid
CID 21328179
12-Aminododeceneoic acid
CID 54536804
12-Aminododecenoic acid
CID 88783860
(Z)-7-amino-2-fluorohept-2-enoic acid
CID 24864124
(E)-6-amino-2-fluorohex-2-enoic acid
CID 25028647
(Z)-6-amino-2-fluorohex-2-enoic acid
CID 25028649
(E)-7-amino-2-fluorohept-2-enoic acid
CID 25028651
(Z)-9-amino-2-fluoronon-2-enoic acid
CID 25028653
(Z)-10-amino-2-fluorodec-2-enoic acid
CID 25028655
(Z)-14-amino-2-fluorotetradec-2-enoic acid
CID 25028657
(E,9R)-9,10-diaminodec-2-enoic acid;2,2,2-trifluoroacetic acid
CID 46865617
[(Z)-6-carboxy-6-fluorohex-5-enyl]azanium
CID 59498631

Frequently Asked Questions

What is the IUPAC name of [(Z)-13-carboxy-13-fluorotridec-12-enyl]azanium?
The IUPAC name of [(Z)-13-carboxy-13-fluorotridec-12-enyl]azanium (CID 59498633) is [(Z)-13-carboxy-13-fluorotridec-12-enyl]azanium.
What is the SMILES notation for [(Z)-13-carboxy-13-fluorotridec-12-enyl]azanium?
The canonical SMILES for [(Z)-13-carboxy-13-fluorotridec-12-enyl]azanium is [NH3+]CCCCCCCCCCC/C=C(\F)C(=O)O.
What is the InChIKey of [(Z)-13-carboxy-13-fluorotridec-12-enyl]azanium?
The InChIKey is LOQPQQDSLFWKLD-QBFSEMIESA-O. The full InChI is InChI=1S/C14H26FNO2/c15-13(14(17)18)11-9-7-5-3-1-2-4-6-8-10-12-16/h11H,1-10,12,16H2,(H,17,18)/p+1/b13-11-.
What are the key properties of [(Z)-13-carboxy-13-fluorotridec-12-enyl]azanium?
[(Z)-13-carboxy-13-fluorotridec-12-enyl]azanium has a molecular weight of 260.37 g/mol, XLogP of 3.07, 12 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-13-carboxy-13-fluorotridec-12-enyl]azanium is sourced from PubChem (CID 59498633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).