(2E,4Z)-2-ethenyl-4,5-difluoro-N-methylhexa-2,4-dien-1-amine

C9H13F2N — CID 142825285

IUPAC(2E,4Z)-2-ethenyl-4,5-difluoro-N-methylhexa-2,4-dien-1-amine
SMILESC=C/C(=C\C(F)=C(/C)F)CNC
InChIInChI=1S/C9H13F2N/c1-4-8(6-12-3)5-9(11)7(2)10/h4-5,12H,1,6H2,2-3H3/b8-5+,9-7-
InChIKeyNHZANYPSRLUVQJ-KCGQVOQMSA-N
MW173.21 g/mol
LogP2.49
Rot. Bonds4

About (2E,4Z)-2-ethenyl-4,5-difluoro-N-methylhexa-2,4-dien-1-amine

(2E,4Z)-2-ethenyl-4,5-difluoro-N-methylhexa-2,4-dien-1-amine (PubChem CID 142825285) has the molecular formula C9H13F2N and a molecular weight of 173.21 g/mol. Its IUPAC name is (2E,4Z)-2-ethenyl-4,5-difluoro-N-methylhexa-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E,4Z)-2-ethenyl-4,5-difluoro-N-methylhexa-2,4-dien-1-amine
PubChem CID142825285
Molecular FormulaC9H13F2N
Molecular Weight173.21 g/mol
Exact Mass173.10
IUPAC Name(2E,4Z)-2-ethenyl-4,5-difluoro-N-methylhexa-2,4-dien-1-amine
SMILESC=C/C(=C\C(F)=C(/C)F)CNC
InChIInChI=1S/C9H13F2N/c1-4-8(6-12-3)5-9(11)7(2)10/h4-5,12H,1,6H2,2-3H3/b8-5+,9-7-
InChIKeyNHZANYPSRLUVQJ-KCGQVOQMSA-N
XLogP2.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 52.49
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 (2E,4Z)-2-ethenyl-4,5-difluoro-N-methylhexa-2,4-dien-1-amine?
The IUPAC name of (2E,4Z)-2-ethenyl-4,5-difluoro-N-methylhexa-2,4-dien-1-amine (CID 142825285) is (2E,4Z)-2-ethenyl-4,5-difluoro-N-methylhexa-2,4-dien-1-amine.
What is the SMILES notation for (2E,4Z)-2-ethenyl-4,5-difluoro-N-methylhexa-2,4-dien-1-amine?
The canonical SMILES for (2E,4Z)-2-ethenyl-4,5-difluoro-N-methylhexa-2,4-dien-1-amine is C=C/C(=C\C(F)=C(/C)F)CNC.
What is the InChIKey of (2E,4Z)-2-ethenyl-4,5-difluoro-N-methylhexa-2,4-dien-1-amine?
The InChIKey is NHZANYPSRLUVQJ-KCGQVOQMSA-N. The full InChI is InChI=1S/C9H13F2N/c1-4-8(6-12-3)5-9(11)7(2)10/h4-5,12H,1,6H2,2-3H3/b8-5+,9-7-.
What are the key properties of (2E,4Z)-2-ethenyl-4,5-difluoro-N-methylhexa-2,4-dien-1-amine?
(2E,4Z)-2-ethenyl-4,5-difluoro-N-methylhexa-2,4-dien-1-amine has a molecular weight of 173.21 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-2-ethenyl-4,5-difluoro-N-methylhexa-2,4-dien-1-amine is sourced from PubChem (CID 142825285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).