(2E)-N-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)penta-2,4-dien-2-amine

C9H12F3N — CID 162589783

IUPAC(2E)-N-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)penta-2,4-dien-2-amine
SMILESC=C/C=C(\C)N(C)C(=C)C(F)(F)F
InChIInChI=1S/C9H12F3N/c1-5-6-7(2)13(4)8(3)9(10,11)12/h5-6H,1,3H2,2,4H3/b7-6+
InChIKeyCABRJUMWAVCKKT-VOTSOKGWSA-N
MW191.20 g/mol
LogP3.08
Rot. Bonds3

About (2E)-N-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)penta-2,4-dien-2-amine

(2E)-N-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)penta-2,4-dien-2-amine (PubChem CID 162589783) has the molecular formula C9H12F3N and a molecular weight of 191.20 g/mol. Its IUPAC name is (2E)-N-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)penta-2,4-dien-2-amine.

Molecular Properties

Compound Name(2E)-N-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)penta-2,4-dien-2-amine
PubChem CID162589783
Molecular FormulaC9H12F3N
Molecular Weight191.20 g/mol
Exact Mass191.09
IUPAC Name(2E)-N-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)penta-2,4-dien-2-amine
SMILESC=C/C=C(\C)N(C)C(=C)C(F)(F)F
InChIInChI=1S/C9H12F3N/c1-5-6-7(2)13(4)8(3)9(10,11)12/h5-6H,1,3H2,2,4H3/b7-6+
InChIKeyCABRJUMWAVCKKT-VOTSOKGWSA-N
XLogP3.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 53.08
H-Bond Donors ≤ 50
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)-N-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)penta-2,4-dien-2-amine?
The IUPAC name of (2E)-N-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)penta-2,4-dien-2-amine (CID 162589783) is (2E)-N-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)penta-2,4-dien-2-amine.
What is the SMILES notation for (2E)-N-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)penta-2,4-dien-2-amine?
The canonical SMILES for (2E)-N-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)penta-2,4-dien-2-amine is C=C/C=C(\C)N(C)C(=C)C(F)(F)F.
What is the InChIKey of (2E)-N-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)penta-2,4-dien-2-amine?
The InChIKey is CABRJUMWAVCKKT-VOTSOKGWSA-N. The full InChI is InChI=1S/C9H12F3N/c1-5-6-7(2)13(4)8(3)9(10,11)12/h5-6H,1,3H2,2,4H3/b7-6+.
What are the key properties of (2E)-N-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)penta-2,4-dien-2-amine?
(2E)-N-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)penta-2,4-dien-2-amine has a molecular weight of 191.20 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)penta-2,4-dien-2-amine is sourced from PubChem (CID 162589783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).