(Z)-16-fluorohexadec-9-enoic acid

C16H29FO2 — CID 56935805

IUPAC(Z)-16-fluorohexadec-9-enoic acid
SMILESO=C(O)CCCCCCC/C=C\CCCCCCF
InChIInChI=1S/C16H29FO2/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h1,3H,2,4-15H2,(H,18,19)/b3-1-
InChIKeyRDQBKFIOEQYUSG-IWQZZHSRSA-N
MW272.40 g/mol
LogP5.28
Rot. Bonds14

About (Z)-16-fluorohexadec-9-enoic acid

(Z)-16-fluorohexadec-9-enoic acid (PubChem CID 56935805) has the molecular formula C16H29FO2 and a molecular weight of 272.40 g/mol. Its IUPAC name is (Z)-16-fluorohexadec-9-enoic acid.

Molecular Properties

Compound Name(Z)-16-fluorohexadec-9-enoic acid
PubChem CID56935805
Molecular FormulaC16H29FO2
Molecular Weight272.40 g/mol
Exact Mass272.22
IUPAC Name(Z)-16-fluorohexadec-9-enoic acid
SMILESO=C(O)CCCCCCC/C=C\CCCCCCF
InChIInChI=1S/C16H29FO2/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h1,3H,2,4-15H2,(H,18,19)/b3-1-
InChIKeyRDQBKFIOEQYUSG-IWQZZHSRSA-N
XLogP5.28
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.40
LogP ≤ 55.28
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)-16-fluorohexadec-9-enoic acid?
The IUPAC name of (Z)-16-fluorohexadec-9-enoic acid (CID 56935805) is (Z)-16-fluorohexadec-9-enoic acid.
What is the SMILES notation for (Z)-16-fluorohexadec-9-enoic acid?
The canonical SMILES for (Z)-16-fluorohexadec-9-enoic acid is O=C(O)CCCCCCC/C=C\CCCCCCF.
What is the InChIKey of (Z)-16-fluorohexadec-9-enoic acid?
The InChIKey is RDQBKFIOEQYUSG-IWQZZHSRSA-N. The full InChI is InChI=1S/C16H29FO2/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h1,3H,2,4-15H2,(H,18,19)/b3-1-.
What are the key properties of (Z)-16-fluorohexadec-9-enoic acid?
(Z)-16-fluorohexadec-9-enoic acid has a molecular weight of 272.40 g/mol, XLogP of 5.28, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-16-fluorohexadec-9-enoic acid is sourced from PubChem (CID 56935805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).