(2E)-4-fluoro-2-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]penta-2,4-dien-1-amine

C9H11F4N — CID 89269978

IUPAC(2E)-4-fluoro-2-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]penta-2,4-dien-1-amine
SMILESC=C(F)/C=C(\C=C(/C)C(F)(F)F)CN
InChIInChI=1S/C9H11F4N/c1-6(9(11,12)13)3-8(5-14)4-7(2)10/h3-4H,2,5,14H2,1H3/b6-3+,8-4+
InChIKeyCGPKAZASVFXSDT-PHQNLGIASA-N
MW209.19 g/mol
LogP2.86
Rot. Bonds3

About (2E)-4-fluoro-2-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]penta-2,4-dien-1-amine

(2E)-4-fluoro-2-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]penta-2,4-dien-1-amine (PubChem CID 89269978) has the molecular formula C9H11F4N and a molecular weight of 209.19 g/mol. Its IUPAC name is (2E)-4-fluoro-2-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]penta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E)-4-fluoro-2-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]penta-2,4-dien-1-amine
PubChem CID89269978
Molecular FormulaC9H11F4N
Molecular Weight209.19 g/mol
Exact Mass209.08
IUPAC Name(2E)-4-fluoro-2-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]penta-2,4-dien-1-amine
SMILESC=C(F)/C=C(\C=C(/C)C(F)(F)F)CN
InChIInChI=1S/C9H11F4N/c1-6(9(11,12)13)3-8(5-14)4-7(2)10/h3-4H,2,5,14H2,1H3/b6-3+,8-4+
InChIKeyCGPKAZASVFXSDT-PHQNLGIASA-N
XLogP2.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.19
LogP ≤ 52.86
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)-4-fluoro-2-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]penta-2,4-dien-1-amine?
The IUPAC name of (2E)-4-fluoro-2-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]penta-2,4-dien-1-amine (CID 89269978) is (2E)-4-fluoro-2-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]penta-2,4-dien-1-amine.
What is the SMILES notation for (2E)-4-fluoro-2-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]penta-2,4-dien-1-amine?
The canonical SMILES for (2E)-4-fluoro-2-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]penta-2,4-dien-1-amine is C=C(F)/C=C(\C=C(/C)C(F)(F)F)CN.
What is the InChIKey of (2E)-4-fluoro-2-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]penta-2,4-dien-1-amine?
The InChIKey is CGPKAZASVFXSDT-PHQNLGIASA-N. The full InChI is InChI=1S/C9H11F4N/c1-6(9(11,12)13)3-8(5-14)4-7(2)10/h3-4H,2,5,14H2,1H3/b6-3+,8-4+.
What are the key properties of (2E)-4-fluoro-2-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]penta-2,4-dien-1-amine?
(2E)-4-fluoro-2-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]penta-2,4-dien-1-amine has a molecular weight of 209.19 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-4-fluoro-2-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]penta-2,4-dien-1-amine is sourced from PubChem (CID 89269978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).