(Z)-18-fluorooctadec-9-enoic acid

C18H33FO2 — CID 5312955

IUPAC(Z)-18-fluorooctadec-9-enoic acid
SMILESO=C(O)CCCCCCC/C=C\CCCCCCCCF
InChIInChI=1S/C18H33FO2/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21/h1-2H,3-17H2,(H,20,21)/b2-1-
InChIKeyXZCKFYWUUUBKNC-UPHRSURJSA-N
MW300.46 g/mol
LogP6.06
Rot. Bonds16

About (Z)-18-fluorooctadec-9-enoic acid

(Z)-18-fluorooctadec-9-enoic acid (PubChem CID 5312955) has the molecular formula C18H33FO2 and a molecular weight of 300.46 g/mol. Its IUPAC name is (Z)-18-fluorooctadec-9-enoic acid.

Molecular Properties

Compound Name(Z)-18-fluorooctadec-9-enoic acid
PubChem CID5312955
Molecular FormulaC18H33FO2
Molecular Weight300.46 g/mol
Exact Mass300.25
IUPAC Name(Z)-18-fluorooctadec-9-enoic acid
SMILESO=C(O)CCCCCCC/C=C\CCCCCCCCF
InChIInChI=1S/C18H33FO2/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21/h1-2H,3-17H2,(H,20,21)/b2-1-
InChIKeyXZCKFYWUUUBKNC-UPHRSURJSA-N
XLogP6.06
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.46
LogP ≤ 56.06
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'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-18-fluorooctadec-9-enoic acid?
The IUPAC name of (Z)-18-fluorooctadec-9-enoic acid (CID 5312955) is (Z)-18-fluorooctadec-9-enoic acid.
What is the SMILES notation for (Z)-18-fluorooctadec-9-enoic acid?
The canonical SMILES for (Z)-18-fluorooctadec-9-enoic acid is O=C(O)CCCCCCC/C=C\CCCCCCCCF.
What is the InChIKey of (Z)-18-fluorooctadec-9-enoic acid?
The InChIKey is XZCKFYWUUUBKNC-UPHRSURJSA-N. The full InChI is InChI=1S/C18H33FO2/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21/h1-2H,3-17H2,(H,20,21)/b2-1-.
What are the key properties of (Z)-18-fluorooctadec-9-enoic acid?
(Z)-18-fluorooctadec-9-enoic acid has a molecular weight of 300.46 g/mol, XLogP of 6.06, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-18-fluorooctadec-9-enoic acid is sourced from PubChem (CID 5312955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).