(4Z,6Z)-1,1,1-trifluoro-3-methylidene-2-[(2S)-pyrrolidin-2-yl]octa-4,6-dien-2-ol

C13H18F3NO — CID 155010569

IUPAC(4Z,6Z)-1,1,1-trifluoro-3-methylidene-2-[(2S)-pyrrolidin-2-yl]octa-4,6-dien-2-ol
SMILESC=C(/C=C\C=C/C)C(O)([C@@H]1CCCN1)C(F)(F)F
InChIInChI=1S/C13H18F3NO/c1-3-4-5-7-10(2)12(18,13(14,15)16)11-8-6-9-17-11/h3-5,7,11,17-18H,2,6,8-9H2,1H3/b4-3-,7-5-/t11-,12?/m0/s1
InChIKeyQXOVUHQEELZNFO-LWMWMLSASA-N
MW261.29 g/mol
LogP2.72
Rot. Bonds4

About (4Z,6Z)-1,1,1-trifluoro-3-methylidene-2-[(2S)-pyrrolidin-2-yl]octa-4,6-dien-2-ol

(4Z,6Z)-1,1,1-trifluoro-3-methylidene-2-[(2S)-pyrrolidin-2-yl]octa-4,6-dien-2-ol (PubChem CID 155010569) has the molecular formula C13H18F3NO and a molecular weight of 261.29 g/mol. Its IUPAC name is (4Z,6Z)-1,1,1-trifluoro-3-methylidene-2-[(2S)-pyrrolidin-2-yl]octa-4,6-dien-2-ol.

Molecular Properties

Compound Name(4Z,6Z)-1,1,1-trifluoro-3-methylidene-2-[(2S)-pyrrolidin-2-yl]octa-4,6-dien-2-ol
PubChem CID155010569
Molecular FormulaC13H18F3NO
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC Name(4Z,6Z)-1,1,1-trifluoro-3-methylidene-2-[(2S)-pyrrolidin-2-yl]octa-4,6-dien-2-ol
SMILESC=C(/C=C\C=C/C)C(O)([C@@H]1CCCN1)C(F)(F)F
InChIInChI=1S/C13H18F3NO/c1-3-4-5-7-10(2)12(18,13(14,15)16)11-8-6-9-17-11/h3-5,7,11,17-18H,2,6,8-9H2,1H3/b4-3-,7-5-/t11-,12?/m0/s1
InChIKeyQXOVUHQEELZNFO-LWMWMLSASA-N
XLogP2.72
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (4Z,6Z)-1,1,1-trifluoro-3-methylidene-2-[(2S)-pyrrolidin-2-yl]octa-4,6-dien-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4Z,6Z)-1,1,1-trifluoro-3-methylidene-2-[(2S)-pyrrolidin-2-yl]octa-4,6-dien-2-ol?
The IUPAC name of (4Z,6Z)-1,1,1-trifluoro-3-methylidene-2-[(2S)-pyrrolidin-2-yl]octa-4,6-dien-2-ol (CID 155010569) is (4Z,6Z)-1,1,1-trifluoro-3-methylidene-2-[(2S)-pyrrolidin-2-yl]octa-4,6-dien-2-ol.
What is the SMILES notation for (4Z,6Z)-1,1,1-trifluoro-3-methylidene-2-[(2S)-pyrrolidin-2-yl]octa-4,6-dien-2-ol?
The canonical SMILES for (4Z,6Z)-1,1,1-trifluoro-3-methylidene-2-[(2S)-pyrrolidin-2-yl]octa-4,6-dien-2-ol is C=C(/C=C\C=C/C)C(O)([C@@H]1CCCN1)C(F)(F)F.
What is the InChIKey of (4Z,6Z)-1,1,1-trifluoro-3-methylidene-2-[(2S)-pyrrolidin-2-yl]octa-4,6-dien-2-ol?
The InChIKey is QXOVUHQEELZNFO-LWMWMLSASA-N. The full InChI is InChI=1S/C13H18F3NO/c1-3-4-5-7-10(2)12(18,13(14,15)16)11-8-6-9-17-11/h3-5,7,11,17-18H,2,6,8-9H2,1H3/b4-3-,7-5-/t11-,12?/m0/s1.
What are the key properties of (4Z,6Z)-1,1,1-trifluoro-3-methylidene-2-[(2S)-pyrrolidin-2-yl]octa-4,6-dien-2-ol?
(4Z,6Z)-1,1,1-trifluoro-3-methylidene-2-[(2S)-pyrrolidin-2-yl]octa-4,6-dien-2-ol has a molecular weight of 261.29 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6Z)-1,1,1-trifluoro-3-methylidene-2-[(2S)-pyrrolidin-2-yl]octa-4,6-dien-2-ol is sourced from PubChem (CID 155010569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).