(3Z,5E)-5-(difluoromethyl)-4-ethenyl-7-methyliminodeca-1,3,5-trien-3-amine

C14H20F2N2 — CID 176985611

IUPAC(3Z,5E)-5-(difluoromethyl)-4-ethenyl-7-methyliminodeca-1,3,5-trien-3-amine
SMILESC=C/C(N)=C(C=C)/C(=C\C(CCC)=N\C)C(F)F
InChIInChI=1S/C14H20F2N2/c1-5-8-10(18-4)9-12(14(15)16)11(6-2)13(17)7-3/h6-7,9,14H,2-3,5,8,17H2,1,4H3/b12-9+,13-11-,18-10+
InChIKeyBJGGGVHOPBIVBT-RKSCBEAZSA-N
MW254.32 g/mol
LogP3.63
Rot. Bonds7

About (3Z,5E)-5-(difluoromethyl)-4-ethenyl-7-methyliminodeca-1,3,5-trien-3-amine

(3Z,5E)-5-(difluoromethyl)-4-ethenyl-7-methyliminodeca-1,3,5-trien-3-amine (PubChem CID 176985611) has the molecular formula C14H20F2N2 and a molecular weight of 254.32 g/mol. Its IUPAC name is (3Z,5E)-5-(difluoromethyl)-4-ethenyl-7-methyliminodeca-1,3,5-trien-3-amine.

Molecular Properties

Compound Name(3Z,5E)-5-(difluoromethyl)-4-ethenyl-7-methyliminodeca-1,3,5-trien-3-amine
PubChem CID176985611
Molecular FormulaC14H20F2N2
Molecular Weight254.32 g/mol
Exact Mass254.16
IUPAC Name(3Z,5E)-5-(difluoromethyl)-4-ethenyl-7-methyliminodeca-1,3,5-trien-3-amine
SMILESC=C/C(N)=C(C=C)/C(=C\C(CCC)=N\C)C(F)F
InChIInChI=1S/C14H20F2N2/c1-5-8-10(18-4)9-12(14(15)16)11(6-2)13(17)7-3/h6-7,9,14H,2-3,5,8,17H2,1,4H3/b12-9+,13-11-,18-10+
InChIKeyBJGGGVHOPBIVBT-RKSCBEAZSA-N
XLogP3.63
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-5-(difluoromethyl)-4-ethenyl-7-methyliminodeca-1,3,5-trien-3-amine?
The IUPAC name of (3Z,5E)-5-(difluoromethyl)-4-ethenyl-7-methyliminodeca-1,3,5-trien-3-amine (CID 176985611) is (3Z,5E)-5-(difluoromethyl)-4-ethenyl-7-methyliminodeca-1,3,5-trien-3-amine.
What is the SMILES notation for (3Z,5E)-5-(difluoromethyl)-4-ethenyl-7-methyliminodeca-1,3,5-trien-3-amine?
The canonical SMILES for (3Z,5E)-5-(difluoromethyl)-4-ethenyl-7-methyliminodeca-1,3,5-trien-3-amine is C=C/C(N)=C(C=C)/C(=C\C(CCC)=N\C)C(F)F.
What is the InChIKey of (3Z,5E)-5-(difluoromethyl)-4-ethenyl-7-methyliminodeca-1,3,5-trien-3-amine?
The InChIKey is BJGGGVHOPBIVBT-RKSCBEAZSA-N. The full InChI is InChI=1S/C14H20F2N2/c1-5-8-10(18-4)9-12(14(15)16)11(6-2)13(17)7-3/h6-7,9,14H,2-3,5,8,17H2,1,4H3/b12-9+,13-11-,18-10+.
What are the key properties of (3Z,5E)-5-(difluoromethyl)-4-ethenyl-7-methyliminodeca-1,3,5-trien-3-amine?
(3Z,5E)-5-(difluoromethyl)-4-ethenyl-7-methyliminodeca-1,3,5-trien-3-amine has a molecular weight of 254.32 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-5-(difluoromethyl)-4-ethenyl-7-methyliminodeca-1,3,5-trien-3-amine is sourced from PubChem (CID 176985611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).