(2E,4Z,8Z,10Z)-9,12-difluoro-4,8-dimethyltrideca-2,4,8,10-tetraen-3-amine

C15H23F2N — CID 134448576

IUPAC(2E,4Z,8Z,10Z)-9,12-difluoro-4,8-dimethyltrideca-2,4,8,10-tetraen-3-amine
SMILESC/C=C(N)\C(C)=C/CC/C(C)=C(F)/C=C\C(C)F
InChIInChI=1S/C15H23F2N/c1-5-15(18)12(3)8-6-7-11(2)14(17)10-9-13(4)16/h5,8-10,13H,6-7,18H2,1-4H3/b10-9-,12-8-,14-11-,15-5+
InChIKeyYVNDVTCPHVIJRP-CVBDTINJSA-N
MW255.35 g/mol
LogP4.73
Rot. Bonds6

About (2E,4Z,8Z,10Z)-9,12-difluoro-4,8-dimethyltrideca-2,4,8,10-tetraen-3-amine

(2E,4Z,8Z,10Z)-9,12-difluoro-4,8-dimethyltrideca-2,4,8,10-tetraen-3-amine (PubChem CID 134448576) has the molecular formula C15H23F2N and a molecular weight of 255.35 g/mol. Its IUPAC name is (2E,4Z,8Z,10Z)-9,12-difluoro-4,8-dimethyltrideca-2,4,8,10-tetraen-3-amine.

Molecular Properties

Compound Name(2E,4Z,8Z,10Z)-9,12-difluoro-4,8-dimethyltrideca-2,4,8,10-tetraen-3-amine
PubChem CID134448576
Molecular FormulaC15H23F2N
Molecular Weight255.35 g/mol
Exact Mass255.18
IUPAC Name(2E,4Z,8Z,10Z)-9,12-difluoro-4,8-dimethyltrideca-2,4,8,10-tetraen-3-amine
SMILESC/C=C(N)\C(C)=C/CC/C(C)=C(F)/C=C\C(C)F
InChIInChI=1S/C15H23F2N/c1-5-15(18)12(3)8-6-7-11(2)14(17)10-9-13(4)16/h5,8-10,13H,6-7,18H2,1-4H3/b10-9-,12-8-,14-11-,15-5+
InChIKeyYVNDVTCPHVIJRP-CVBDTINJSA-N
XLogP4.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E,4Z,8Z,10Z)-9,12-difluoro-4,8-dimethyltrideca-2,4,8,10-tetraen-3-amine 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 (2E,4Z,8Z,10Z)-9,12-difluoro-4,8-dimethyltrideca-2,4,8,10-tetraen-3-amine?
The IUPAC name of (2E,4Z,8Z,10Z)-9,12-difluoro-4,8-dimethyltrideca-2,4,8,10-tetraen-3-amine (CID 134448576) is (2E,4Z,8Z,10Z)-9,12-difluoro-4,8-dimethyltrideca-2,4,8,10-tetraen-3-amine.
What is the SMILES notation for (2E,4Z,8Z,10Z)-9,12-difluoro-4,8-dimethyltrideca-2,4,8,10-tetraen-3-amine?
The canonical SMILES for (2E,4Z,8Z,10Z)-9,12-difluoro-4,8-dimethyltrideca-2,4,8,10-tetraen-3-amine is C/C=C(N)\C(C)=C/CC/C(C)=C(F)/C=C\C(C)F.
What is the InChIKey of (2E,4Z,8Z,10Z)-9,12-difluoro-4,8-dimethyltrideca-2,4,8,10-tetraen-3-amine?
The InChIKey is YVNDVTCPHVIJRP-CVBDTINJSA-N. The full InChI is InChI=1S/C15H23F2N/c1-5-15(18)12(3)8-6-7-11(2)14(17)10-9-13(4)16/h5,8-10,13H,6-7,18H2,1-4H3/b10-9-,12-8-,14-11-,15-5+.
What are the key properties of (2E,4Z,8Z,10Z)-9,12-difluoro-4,8-dimethyltrideca-2,4,8,10-tetraen-3-amine?
(2E,4Z,8Z,10Z)-9,12-difluoro-4,8-dimethyltrideca-2,4,8,10-tetraen-3-amine has a molecular weight of 255.35 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z,8Z,10Z)-9,12-difluoro-4,8-dimethyltrideca-2,4,8,10-tetraen-3-amine is sourced from PubChem (CID 134448576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).