(2E,5E,7E)-N-ethenyl-N,3-difluoro-4-methylidene-6,7-bis[(Z)-prop-1-enyl]deca-2,5,7-trien-5-amine

C19H25F2N — CID 167067875

IUPAC(2E,5E,7E)-N-ethenyl-N,3-difluoro-4-methylidene-6,7-bis[(Z)-prop-1-enyl]deca-2,5,7-trien-5-amine
SMILESC=CN(F)C(C(=C)/C(F)=C\C)=C(/C=C\C)C(/C=C\C)=C/CC
InChIInChI=1S/C19H25F2N/c1-7-12-16(13-8-2)17(14-9-3)19(22(21)11-5)15(6)18(20)10-4/h7,9-14H,5-6,8H2,1-4H3/b12-7-,14-9-,16-13+,18-10+,19-17+
InChIKeyWHLZVILALMEXEX-KSPQFYMXSA-N
MW305.41 g/mol
LogP6.49
Rot. Bonds8

About (2E,5E,7E)-N-ethenyl-N,3-difluoro-4-methylidene-6,7-bis[(Z)-prop-1-enyl]deca-2,5,7-trien-5-amine

(2E,5E,7E)-N-ethenyl-N,3-difluoro-4-methylidene-6,7-bis[(Z)-prop-1-enyl]deca-2,5,7-trien-5-amine (PubChem CID 167067875) has the molecular formula C19H25F2N and a molecular weight of 305.41 g/mol. Its IUPAC name is (2E,5E,7E)-N-ethenyl-N,3-difluoro-4-methylidene-6,7-bis[(Z)-prop-1-enyl]deca-2,5,7-trien-5-amine.

Molecular Properties

Compound Name(2E,5E,7E)-N-ethenyl-N,3-difluoro-4-methylidene-6,7-bis[(Z)-prop-1-enyl]deca-2,5,7-trien-5-amine
PubChem CID167067875
Molecular FormulaC19H25F2N
Molecular Weight305.41 g/mol
Exact Mass305.20
IUPAC Name(2E,5E,7E)-N-ethenyl-N,3-difluoro-4-methylidene-6,7-bis[(Z)-prop-1-enyl]deca-2,5,7-trien-5-amine
SMILESC=CN(F)C(C(=C)/C(F)=C\C)=C(/C=C\C)C(/C=C\C)=C/CC
InChIInChI=1S/C19H25F2N/c1-7-12-16(13-8-2)17(14-9-3)19(22(21)11-5)15(6)18(20)10-4/h7,9-14H,5-6,8H2,1-4H3/b12-7-,14-9-,16-13+,18-10+,19-17+
InChIKeyWHLZVILALMEXEX-KSPQFYMXSA-N
XLogP6.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.41
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E,5E,7E)-N-ethenyl-N,3-difluoro-4-methylidene-6,7-bis[(Z)-prop-1-enyl]deca-2,5,7-trien-5-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,5E,7E)-N-ethenyl-N,3-difluoro-4-methylidene-6,7-bis[(Z)-prop-1-enyl]deca-2,5,7-trien-5-amine?
The IUPAC name of (2E,5E,7E)-N-ethenyl-N,3-difluoro-4-methylidene-6,7-bis[(Z)-prop-1-enyl]deca-2,5,7-trien-5-amine (CID 167067875) is (2E,5E,7E)-N-ethenyl-N,3-difluoro-4-methylidene-6,7-bis[(Z)-prop-1-enyl]deca-2,5,7-trien-5-amine.
What is the SMILES notation for (2E,5E,7E)-N-ethenyl-N,3-difluoro-4-methylidene-6,7-bis[(Z)-prop-1-enyl]deca-2,5,7-trien-5-amine?
The canonical SMILES for (2E,5E,7E)-N-ethenyl-N,3-difluoro-4-methylidene-6,7-bis[(Z)-prop-1-enyl]deca-2,5,7-trien-5-amine is C=CN(F)C(C(=C)/C(F)=C\C)=C(/C=C\C)C(/C=C\C)=C/CC.
What is the InChIKey of (2E,5E,7E)-N-ethenyl-N,3-difluoro-4-methylidene-6,7-bis[(Z)-prop-1-enyl]deca-2,5,7-trien-5-amine?
The InChIKey is WHLZVILALMEXEX-KSPQFYMXSA-N. The full InChI is InChI=1S/C19H25F2N/c1-7-12-16(13-8-2)17(14-9-3)19(22(21)11-5)15(6)18(20)10-4/h7,9-14H,5-6,8H2,1-4H3/b12-7-,14-9-,16-13+,18-10+,19-17+.
What are the key properties of (2E,5E,7E)-N-ethenyl-N,3-difluoro-4-methylidene-6,7-bis[(Z)-prop-1-enyl]deca-2,5,7-trien-5-amine?
(2E,5E,7E)-N-ethenyl-N,3-difluoro-4-methylidene-6,7-bis[(Z)-prop-1-enyl]deca-2,5,7-trien-5-amine has a molecular weight of 305.41 g/mol, XLogP of 6.49, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5E,7E)-N-ethenyl-N,3-difluoro-4-methylidene-6,7-bis[(Z)-prop-1-enyl]deca-2,5,7-trien-5-amine is sourced from PubChem (CID 167067875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).