(14Z)-2-fluorononadeca-2,14-dienoic acid

C19H33FO2 — CID 175559432

IUPAC(14Z)-2-fluorononadeca-2,14-dienoic acid
SMILESCCCC/C=C\CCCCCCCCCCC=C(F)C(=O)O
InChIInChI=1S/C19H33FO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(20)19(21)22/h5-6,17H,2-4,7-16H2,1H3,(H,21,22)/b6-5-,18-17?
InChIKeyWYGYWMKOHIVKJT-SQLAKWGWSA-N
MW312.47 g/mol
LogP6.57
Rot. Bonds15

About (14Z)-2-fluorononadeca-2,14-dienoic acid

(14Z)-2-fluorononadeca-2,14-dienoic acid (PubChem CID 175559432) has the molecular formula C19H33FO2 and a molecular weight of 312.47 g/mol. Its IUPAC name is (14Z)-2-fluorononadeca-2,14-dienoic acid.

Molecular Properties

Compound Name(14Z)-2-fluorononadeca-2,14-dienoic acid
PubChem CID175559432
Molecular FormulaC19H33FO2
Molecular Weight312.47 g/mol
Exact Mass312.25
IUPAC Name(14Z)-2-fluorononadeca-2,14-dienoic acid
SMILESCCCC/C=C\CCCCCCCCCCC=C(F)C(=O)O
InChIInChI=1S/C19H33FO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(20)19(21)22/h5-6,17H,2-4,7-16H2,1H3,(H,21,22)/b6-5-,18-17?
InChIKeyWYGYWMKOHIVKJT-SQLAKWGWSA-N
XLogP6.57
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.47
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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(Z)-14-amino-2-fluorotetradec-2-enoic acid;hydrochloride
CID 25028656
(Z)-9-amino-2-fluoronon-2-enoic acid;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of (14Z)-2-fluorononadeca-2,14-dienoic acid?
The IUPAC name of (14Z)-2-fluorononadeca-2,14-dienoic acid (CID 175559432) is (14Z)-2-fluorononadeca-2,14-dienoic acid.
What is the SMILES notation for (14Z)-2-fluorononadeca-2,14-dienoic acid?
The canonical SMILES for (14Z)-2-fluorononadeca-2,14-dienoic acid is CCCC/C=C\CCCCCCCCCCC=C(F)C(=O)O.
What is the InChIKey of (14Z)-2-fluorononadeca-2,14-dienoic acid?
The InChIKey is WYGYWMKOHIVKJT-SQLAKWGWSA-N. The full InChI is InChI=1S/C19H33FO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(20)19(21)22/h5-6,17H,2-4,7-16H2,1H3,(H,21,22)/b6-5-,18-17?.
What are the key properties of (14Z)-2-fluorononadeca-2,14-dienoic acid?
(14Z)-2-fluorononadeca-2,14-dienoic acid has a molecular weight of 312.47 g/mol, XLogP of 6.57, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (14Z)-2-fluorononadeca-2,14-dienoic acid is sourced from PubChem (CID 175559432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).