(3Z,5E)-7,7-difluoro-3-[(3E)-hexa-1,3-dien-3-yl]-6-methylocta-3,5-dien-2-amine

C15H23F2N — CID 166651332

IUPAC(3Z,5E)-7,7-difluoro-3-[(3E)-hexa-1,3-dien-3-yl]-6-methylocta-3,5-dien-2-amine
SMILESC=CC(=C\CC)/C(=C/C=C(\C)C(C)(F)F)C(C)N
InChIInChI=1S/C15H23F2N/c1-6-8-13(7-2)14(12(4)18)10-9-11(3)15(5,16)17/h7-10,12H,2,6,18H2,1,3-5H3/b11-9+,13-8+,14-10+
InChIKeyXXGSXKXYXHZVIX-BWHMKOIUSA-N
MW255.35 g/mol
LogP4.38
Rot. Bonds6

About (3Z,5E)-7,7-difluoro-3-[(3E)-hexa-1,3-dien-3-yl]-6-methylocta-3,5-dien-2-amine

(3Z,5E)-7,7-difluoro-3-[(3E)-hexa-1,3-dien-3-yl]-6-methylocta-3,5-dien-2-amine (PubChem CID 166651332) has the molecular formula C15H23F2N and a molecular weight of 255.35 g/mol. Its IUPAC name is (3Z,5E)-7,7-difluoro-3-[(3E)-hexa-1,3-dien-3-yl]-6-methylocta-3,5-dien-2-amine.

Molecular Properties

Compound Name(3Z,5E)-7,7-difluoro-3-[(3E)-hexa-1,3-dien-3-yl]-6-methylocta-3,5-dien-2-amine
PubChem CID166651332
Molecular FormulaC15H23F2N
Molecular Weight255.35 g/mol
Exact Mass255.18
IUPAC Name(3Z,5E)-7,7-difluoro-3-[(3E)-hexa-1,3-dien-3-yl]-6-methylocta-3,5-dien-2-amine
SMILESC=CC(=C\CC)/C(=C/C=C(\C)C(C)(F)F)C(C)N
InChIInChI=1S/C15H23F2N/c1-6-8-13(7-2)14(12(4)18)10-9-11(3)15(5,16)17/h7-10,12H,2,6,18H2,1,3-5H3/b11-9+,13-8+,14-10+
InChIKeyXXGSXKXYXHZVIX-BWHMKOIUSA-N
XLogP4.38
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 ≤ 54.38
H-Bond Donors ≤ 51
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 (3Z,5E)-7,7-difluoro-3-[(3E)-hexa-1,3-dien-3-yl]-6-methylocta-3,5-dien-2-amine?
The IUPAC name of (3Z,5E)-7,7-difluoro-3-[(3E)-hexa-1,3-dien-3-yl]-6-methylocta-3,5-dien-2-amine (CID 166651332) is (3Z,5E)-7,7-difluoro-3-[(3E)-hexa-1,3-dien-3-yl]-6-methylocta-3,5-dien-2-amine.
What is the SMILES notation for (3Z,5E)-7,7-difluoro-3-[(3E)-hexa-1,3-dien-3-yl]-6-methylocta-3,5-dien-2-amine?
The canonical SMILES for (3Z,5E)-7,7-difluoro-3-[(3E)-hexa-1,3-dien-3-yl]-6-methylocta-3,5-dien-2-amine is C=CC(=C\CC)/C(=C/C=C(\C)C(C)(F)F)C(C)N.
What is the InChIKey of (3Z,5E)-7,7-difluoro-3-[(3E)-hexa-1,3-dien-3-yl]-6-methylocta-3,5-dien-2-amine?
The InChIKey is XXGSXKXYXHZVIX-BWHMKOIUSA-N. The full InChI is InChI=1S/C15H23F2N/c1-6-8-13(7-2)14(12(4)18)10-9-11(3)15(5,16)17/h7-10,12H,2,6,18H2,1,3-5H3/b11-9+,13-8+,14-10+.
What are the key properties of (3Z,5E)-7,7-difluoro-3-[(3E)-hexa-1,3-dien-3-yl]-6-methylocta-3,5-dien-2-amine?
(3Z,5E)-7,7-difluoro-3-[(3E)-hexa-1,3-dien-3-yl]-6-methylocta-3,5-dien-2-amine has a molecular weight of 255.35 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-7,7-difluoro-3-[(3E)-hexa-1,3-dien-3-yl]-6-methylocta-3,5-dien-2-amine is sourced from PubChem (CID 166651332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).