1-[(4Z,5Z,7Z)-7-cyclopropyloxy-4-ethylidene-8-fluoroocta-5,7-dienyl]pyrrolidine

C17H26FNO — CID 166854647

IUPAC1-[(4Z,5Z,7Z)-7-cyclopropyloxy-4-ethylidene-8-fluoroocta-5,7-dienyl]pyrrolidine
SMILESC/C=C(\C=C/C(=C/F)OC1CC1)CCCN1CCCC1
InChIInChI=1S/C17H26FNO/c1-2-15(6-5-13-19-11-3-4-12-19)7-8-17(14-18)20-16-9-10-16/h2,7-8,14,16H,3-6,9-13H2,1H3/b8-7-,15-2-,17-14-
InChIKeyCTDKCZYFJRSXKO-KYCLDZNFSA-N
MW279.40 g/mol
LogP4.35
Rot. Bonds8

About 1-[(4Z,5Z,7Z)-7-cyclopropyloxy-4-ethylidene-8-fluoroocta-5,7-dienyl]pyrrolidine

1-[(4Z,5Z,7Z)-7-cyclopropyloxy-4-ethylidene-8-fluoroocta-5,7-dienyl]pyrrolidine (PubChem CID 166854647) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is 1-[(4Z,5Z,7Z)-7-cyclopropyloxy-4-ethylidene-8-fluoroocta-5,7-dienyl]pyrrolidine.

Molecular Properties

Compound Name1-[(4Z,5Z,7Z)-7-cyclopropyloxy-4-ethylidene-8-fluoroocta-5,7-dienyl]pyrrolidine
PubChem CID166854647
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC Name1-[(4Z,5Z,7Z)-7-cyclopropyloxy-4-ethylidene-8-fluoroocta-5,7-dienyl]pyrrolidine
SMILESC/C=C(\C=C/C(=C/F)OC1CC1)CCCN1CCCC1
InChIInChI=1S/C17H26FNO/c1-2-15(6-5-13-19-11-3-4-12-19)7-8-17(14-18)20-16-9-10-16/h2,7-8,14,16H,3-6,9-13H2,1H3/b8-7-,15-2-,17-14-
InChIKeyCTDKCZYFJRSXKO-KYCLDZNFSA-N
XLogP4.35
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(4Z,5Z,7Z)-7-cyclopropyloxy-4-ethylidene-8-fluoroocta-5,7-dienyl]pyrrolidine?
The IUPAC name of 1-[(4Z,5Z,7Z)-7-cyclopropyloxy-4-ethylidene-8-fluoroocta-5,7-dienyl]pyrrolidine (CID 166854647) is 1-[(4Z,5Z,7Z)-7-cyclopropyloxy-4-ethylidene-8-fluoroocta-5,7-dienyl]pyrrolidine.
What is the SMILES notation for 1-[(4Z,5Z,7Z)-7-cyclopropyloxy-4-ethylidene-8-fluoroocta-5,7-dienyl]pyrrolidine?
The canonical SMILES for 1-[(4Z,5Z,7Z)-7-cyclopropyloxy-4-ethylidene-8-fluoroocta-5,7-dienyl]pyrrolidine is C/C=C(\C=C/C(=C/F)OC1CC1)CCCN1CCCC1.
What is the InChIKey of 1-[(4Z,5Z,7Z)-7-cyclopropyloxy-4-ethylidene-8-fluoroocta-5,7-dienyl]pyrrolidine?
The InChIKey is CTDKCZYFJRSXKO-KYCLDZNFSA-N. The full InChI is InChI=1S/C17H26FNO/c1-2-15(6-5-13-19-11-3-4-12-19)7-8-17(14-18)20-16-9-10-16/h2,7-8,14,16H,3-6,9-13H2,1H3/b8-7-,15-2-,17-14-.
What are the key properties of 1-[(4Z,5Z,7Z)-7-cyclopropyloxy-4-ethylidene-8-fluoroocta-5,7-dienyl]pyrrolidine?
1-[(4Z,5Z,7Z)-7-cyclopropyloxy-4-ethylidene-8-fluoroocta-5,7-dienyl]pyrrolidine has a molecular weight of 279.40 g/mol, XLogP of 4.35, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4Z,5Z,7Z)-7-cyclopropyloxy-4-ethylidene-8-fluoroocta-5,7-dienyl]pyrrolidine is sourced from PubChem (CID 166854647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).