(2Z)-1-methyl-2-[(3E,5Z)-2-propan-2-ylidene-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)octa-3,5-dienylidene]pyrrolidine

C20H28F3N — CID 178040910

IUPAC(2Z)-1-methyl-2-[(3E,5Z)-2-propan-2-ylidene-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)octa-3,5-dienylidene]pyrrolidine
SMILESC/C=C\C(=C/C(=C/CC)C(F)(F)F)C(/C=C1/CCCN1C)=C(C)C
InChIInChI=1S/C20H28F3N/c1-6-9-16(13-17(10-7-2)20(21,22)23)19(15(3)4)14-18-11-8-12-24(18)5/h6,9-10,13-14H,7-8,11-12H2,1-5H3/b9-6-,16-13+,17-10-,18-14-
InChIKeyIQYVKFSBFBALQH-TURMQEIDSA-N
MW339.45 g/mol
LogP6.33
Rot. Bonds5

About (2Z)-1-methyl-2-[(3E,5Z)-2-propan-2-ylidene-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)octa-3,5-dienylidene]pyrrolidine

(2Z)-1-methyl-2-[(3E,5Z)-2-propan-2-ylidene-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)octa-3,5-dienylidene]pyrrolidine (PubChem CID 178040910) has the molecular formula C20H28F3N and a molecular weight of 339.45 g/mol. Its IUPAC name is (2Z)-1-methyl-2-[(3E,5Z)-2-propan-2-ylidene-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)octa-3,5-dienylidene]pyrrolidine.

Molecular Properties

Compound Name(2Z)-1-methyl-2-[(3E,5Z)-2-propan-2-ylidene-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)octa-3,5-dienylidene]pyrrolidine
PubChem CID178040910
Molecular FormulaC20H28F3N
Molecular Weight339.45 g/mol
Exact Mass339.22
IUPAC Name(2Z)-1-methyl-2-[(3E,5Z)-2-propan-2-ylidene-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)octa-3,5-dienylidene]pyrrolidine
SMILESC/C=C\C(=C/C(=C/CC)C(F)(F)F)C(/C=C1/CCCN1C)=C(C)C
InChIInChI=1S/C20H28F3N/c1-6-9-16(13-17(10-7-2)20(21,22)23)19(15(3)4)14-18-11-8-12-24(18)5/h6,9-10,13-14H,7-8,11-12H2,1-5H3/b9-6-,16-13+,17-10-,18-14-
InChIKeyIQYVKFSBFBALQH-TURMQEIDSA-N
XLogP6.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.45
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-1-methyl-2-[(3E,5Z)-2-propan-2-ylidene-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)octa-3,5-dienylidene]pyrrolidine?
The IUPAC name of (2Z)-1-methyl-2-[(3E,5Z)-2-propan-2-ylidene-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)octa-3,5-dienylidene]pyrrolidine (CID 178040910) is (2Z)-1-methyl-2-[(3E,5Z)-2-propan-2-ylidene-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)octa-3,5-dienylidene]pyrrolidine.
What is the SMILES notation for (2Z)-1-methyl-2-[(3E,5Z)-2-propan-2-ylidene-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)octa-3,5-dienylidene]pyrrolidine?
The canonical SMILES for (2Z)-1-methyl-2-[(3E,5Z)-2-propan-2-ylidene-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)octa-3,5-dienylidene]pyrrolidine is C/C=C\C(=C/C(=C/CC)C(F)(F)F)C(/C=C1/CCCN1C)=C(C)C.
What is the InChIKey of (2Z)-1-methyl-2-[(3E,5Z)-2-propan-2-ylidene-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)octa-3,5-dienylidene]pyrrolidine?
The InChIKey is IQYVKFSBFBALQH-TURMQEIDSA-N. The full InChI is InChI=1S/C20H28F3N/c1-6-9-16(13-17(10-7-2)20(21,22)23)19(15(3)4)14-18-11-8-12-24(18)5/h6,9-10,13-14H,7-8,11-12H2,1-5H3/b9-6-,16-13+,17-10-,18-14-.
What are the key properties of (2Z)-1-methyl-2-[(3E,5Z)-2-propan-2-ylidene-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)octa-3,5-dienylidene]pyrrolidine?
(2Z)-1-methyl-2-[(3E,5Z)-2-propan-2-ylidene-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)octa-3,5-dienylidene]pyrrolidine has a molecular weight of 339.45 g/mol, XLogP of 6.33, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-1-methyl-2-[(3E,5Z)-2-propan-2-ylidene-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)octa-3,5-dienylidene]pyrrolidine is sourced from PubChem (CID 178040910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).