(5Z,8Z,10Z)-8-(1,3-difluoroprop-1-enyl)-6-[(E)-3-fluoroprop-2-enyl]-N,N,4,5-tetramethyldodeca-5,8,10-trien-4-amine

C22H34F3N — CID 130242940

IUPAC(5Z,8Z,10Z)-8-(1,3-difluoroprop-1-enyl)-6-[(E)-3-fluoroprop-2-enyl]-N,N,4,5-tetramethyldodeca-5,8,10-trien-4-amine
SMILESC/C=C\C=C(\C/C(C/C=C/F)=C(/C)C(C)(CCC)N(C)C)C(F)=CCF
InChIInChI=1S/C22H34F3N/c1-7-9-11-20(21(25)13-16-24)17-19(12-10-15-23)18(3)22(4,14-8-2)26(5)6/h7,9-11,13,15H,8,12,14,16-17H2,1-6H3/b9-7-,15-10+,19-18-,20-11-,21-13?
InChIKeyCVCSHTZEPPHXHX-QSRJIKBXSA-N
MW369.52 g/mol
LogP7.01
Rot. Bonds11

About (5Z,8Z,10Z)-8-(1,3-difluoroprop-1-enyl)-6-[(E)-3-fluoroprop-2-enyl]-N,N,4,5-tetramethyldodeca-5,8,10-trien-4-amine

(5Z,8Z,10Z)-8-(1,3-difluoroprop-1-enyl)-6-[(E)-3-fluoroprop-2-enyl]-N,N,4,5-tetramethyldodeca-5,8,10-trien-4-amine (PubChem CID 130242940) has the molecular formula C22H34F3N and a molecular weight of 369.52 g/mol. Its IUPAC name is (5Z,8Z,10Z)-8-(1,3-difluoroprop-1-enyl)-6-[(E)-3-fluoroprop-2-enyl]-N,N,4,5-tetramethyldodeca-5,8,10-trien-4-amine.

Molecular Properties

Compound Name(5Z,8Z,10Z)-8-(1,3-difluoroprop-1-enyl)-6-[(E)-3-fluoroprop-2-enyl]-N,N,4,5-tetramethyldodeca-5,8,10-trien-4-amine
PubChem CID130242940
Molecular FormulaC22H34F3N
Molecular Weight369.52 g/mol
Exact Mass369.26
IUPAC Name(5Z,8Z,10Z)-8-(1,3-difluoroprop-1-enyl)-6-[(E)-3-fluoroprop-2-enyl]-N,N,4,5-tetramethyldodeca-5,8,10-trien-4-amine
SMILESC/C=C\C=C(\C/C(C/C=C/F)=C(/C)C(C)(CCC)N(C)C)C(F)=CCF
InChIInChI=1S/C22H34F3N/c1-7-9-11-20(21(25)13-16-24)17-19(12-10-15-23)18(3)22(4,14-8-2)26(5)6/h7,9-11,13,15H,8,12,14,16-17H2,1-6H3/b9-7-,15-10+,19-18-,20-11-,21-13?
InChIKeyCVCSHTZEPPHXHX-QSRJIKBXSA-N
XLogP7.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.52
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z,8Z,10Z)-8-(1,3-difluoroprop-1-enyl)-6-[(E)-3-fluoroprop-2-enyl]-N,N,4,5-tetramethyldodeca-5,8,10-trien-4-amine?
The IUPAC name of (5Z,8Z,10Z)-8-(1,3-difluoroprop-1-enyl)-6-[(E)-3-fluoroprop-2-enyl]-N,N,4,5-tetramethyldodeca-5,8,10-trien-4-amine (CID 130242940) is (5Z,8Z,10Z)-8-(1,3-difluoroprop-1-enyl)-6-[(E)-3-fluoroprop-2-enyl]-N,N,4,5-tetramethyldodeca-5,8,10-trien-4-amine.
What is the SMILES notation for (5Z,8Z,10Z)-8-(1,3-difluoroprop-1-enyl)-6-[(E)-3-fluoroprop-2-enyl]-N,N,4,5-tetramethyldodeca-5,8,10-trien-4-amine?
The canonical SMILES for (5Z,8Z,10Z)-8-(1,3-difluoroprop-1-enyl)-6-[(E)-3-fluoroprop-2-enyl]-N,N,4,5-tetramethyldodeca-5,8,10-trien-4-amine is C/C=C\C=C(\C/C(C/C=C/F)=C(/C)C(C)(CCC)N(C)C)C(F)=CCF.
What is the InChIKey of (5Z,8Z,10Z)-8-(1,3-difluoroprop-1-enyl)-6-[(E)-3-fluoroprop-2-enyl]-N,N,4,5-tetramethyldodeca-5,8,10-trien-4-amine?
The InChIKey is CVCSHTZEPPHXHX-QSRJIKBXSA-N. The full InChI is InChI=1S/C22H34F3N/c1-7-9-11-20(21(25)13-16-24)17-19(12-10-15-23)18(3)22(4,14-8-2)26(5)6/h7,9-11,13,15H,8,12,14,16-17H2,1-6H3/b9-7-,15-10+,19-18-,20-11-,21-13?.
What are the key properties of (5Z,8Z,10Z)-8-(1,3-difluoroprop-1-enyl)-6-[(E)-3-fluoroprop-2-enyl]-N,N,4,5-tetramethyldodeca-5,8,10-trien-4-amine?
(5Z,8Z,10Z)-8-(1,3-difluoroprop-1-enyl)-6-[(E)-3-fluoroprop-2-enyl]-N,N,4,5-tetramethyldodeca-5,8,10-trien-4-amine has a molecular weight of 369.52 g/mol, XLogP of 7.01, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z,10Z)-8-(1,3-difluoroprop-1-enyl)-6-[(E)-3-fluoroprop-2-enyl]-N,N,4,5-tetramethyldodeca-5,8,10-trien-4-amine is sourced from PubChem (CID 130242940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).