(Z)-14-amino-2-fluorotetradec-2-enoic acid

C14H26FNO2 — CID 25028657

IUPAC(Z)-14-amino-2-fluorotetradec-2-enoic acid
SMILESNCCCCCCCCCCC/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)/b13-11-
InChIKeyLOQPQQDSLFWKLD-QBFSEMIESA-N
MW259.36 g/mol
LogP3.78
Rot. Bonds12

About (Z)-14-amino-2-fluorotetradec-2-enoic acid

(Z)-14-amino-2-fluorotetradec-2-enoic acid (PubChem CID 25028657) has the molecular formula C14H26FNO2 and a molecular weight of 259.36 g/mol. Its IUPAC name is (Z)-14-amino-2-fluorotetradec-2-enoic acid.

Molecular Properties

Compound Name(Z)-14-amino-2-fluorotetradec-2-enoic acid
PubChem CID25028657
Molecular FormulaC14H26FNO2
Molecular Weight259.36 g/mol
Exact Mass259.19
IUPAC Name(Z)-14-amino-2-fluorotetradec-2-enoic acid
SMILESNCCCCCCCCCCC/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)/b13-11-
InChIKeyLOQPQQDSLFWKLD-QBFSEMIESA-N
XLogP3.78
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of (Z)-14-amino-2-fluorotetradec-2-enoic acid?
The IUPAC name of (Z)-14-amino-2-fluorotetradec-2-enoic acid (CID 25028657) is (Z)-14-amino-2-fluorotetradec-2-enoic acid.
What is the SMILES notation for (Z)-14-amino-2-fluorotetradec-2-enoic acid?
The canonical SMILES for (Z)-14-amino-2-fluorotetradec-2-enoic acid is NCCCCCCCCCCC/C=C(\F)C(=O)O.
What is the InChIKey of (Z)-14-amino-2-fluorotetradec-2-enoic acid?
The InChIKey is LOQPQQDSLFWKLD-QBFSEMIESA-N. 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)/b13-11-.
What are the key properties of (Z)-14-amino-2-fluorotetradec-2-enoic acid?
(Z)-14-amino-2-fluorotetradec-2-enoic acid has a molecular weight of 259.36 g/mol, XLogP of 3.78, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-14-amino-2-fluorotetradec-2-enoic acid is sourced from PubChem (CID 25028657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).