[(Z)-tetradec-12-enyl] 2-fluoroprop-2-enoate

C17H29FO2 — CID 171776219

IUPAC[(Z)-tetradec-12-enyl] 2-fluoroprop-2-enoate
SMILESC=C(F)C(=O)OCCCCCCCCCCC/C=C\C
InChIInChI=1S/C17H29FO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-17(19)16(2)18/h3-4H,2,5-15H2,1H3/b4-3-
InChIKeyWOVHZWGSSFPSDG-ARJAWSKDSA-N
MW284.42 g/mol
LogP5.49
Rot. Bonds13

About [(Z)-tetradec-12-enyl] 2-fluoroprop-2-enoate

[(Z)-tetradec-12-enyl] 2-fluoroprop-2-enoate (PubChem CID 171776219) has the molecular formula C17H29FO2 and a molecular weight of 284.42 g/mol. Its IUPAC name is [(Z)-tetradec-12-enyl] 2-fluoroprop-2-enoate.

Molecular Properties

Compound Name[(Z)-tetradec-12-enyl] 2-fluoroprop-2-enoate
PubChem CID171776219
Molecular FormulaC17H29FO2
Molecular Weight284.42 g/mol
Exact Mass284.22
IUPAC Name[(Z)-tetradec-12-enyl] 2-fluoroprop-2-enoate
SMILESC=C(F)C(=O)OCCCCCCCCCCC/C=C\C
InChIInChI=1S/C17H29FO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-17(19)16(2)18/h3-4H,2,5-15H2,1H3/b4-3-
InChIKeyWOVHZWGSSFPSDG-ARJAWSKDSA-N
XLogP5.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.42
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

tridec-11-enyl acetate
CID 537063
[(E)-tetradec-12-enyl] acetate
CID 5365773
dec-8-enyl acetate
CID 73186998
[(10Z,14Z)-hexadeca-10,14-dienyl] acetate
CID 102055670
hex-4-enyl (E)-non-7-enoate
CID 155355569
[(E)-hept-5-enyl] heptacosanoate
CID 102118801
[(Z)-octadec-9-enyl] 2-methylprop-2-enoate
CID 6436390
[(3E,8Z,11Z)-tetradeca-3,8,11-trienyl] 2-fluoroprop-2-enoate
CID 171776215
N-[(E)-hept-5-enoxy]-2-methylprop-2-enamide
CID 102118181
[(Z)-non-7-enyl] (E)-6-methyloct-6-enoate
CID 163319800
[(E)-pent-3-enyl] (E)-undec-9-enoate
CID 155355570
pent-3-enyl (E)-dodec-10-enoate
CID 155355573

Frequently Asked Questions

What is the IUPAC name of [(Z)-tetradec-12-enyl] 2-fluoroprop-2-enoate?
The IUPAC name of [(Z)-tetradec-12-enyl] 2-fluoroprop-2-enoate (CID 171776219) is [(Z)-tetradec-12-enyl] 2-fluoroprop-2-enoate.
What is the SMILES notation for [(Z)-tetradec-12-enyl] 2-fluoroprop-2-enoate?
The canonical SMILES for [(Z)-tetradec-12-enyl] 2-fluoroprop-2-enoate is C=C(F)C(=O)OCCCCCCCCCCC/C=C\C.
What is the InChIKey of [(Z)-tetradec-12-enyl] 2-fluoroprop-2-enoate?
The InChIKey is WOVHZWGSSFPSDG-ARJAWSKDSA-N. The full InChI is InChI=1S/C17H29FO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-17(19)16(2)18/h3-4H,2,5-15H2,1H3/b4-3-.
What are the key properties of [(Z)-tetradec-12-enyl] 2-fluoroprop-2-enoate?
[(Z)-tetradec-12-enyl] 2-fluoroprop-2-enoate has a molecular weight of 284.42 g/mol, XLogP of 5.49, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-tetradec-12-enyl] 2-fluoroprop-2-enoate is sourced from PubChem (CID 171776219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).