(2Z)-1,1,1-trifluoro-N-methyl-N-propan-2-ylpenta-2,4-dien-2-amine

C9H14F3N — CID 170067478

IUPAC(2Z)-1,1,1-trifluoro-N-methyl-N-propan-2-ylpenta-2,4-dien-2-amine
SMILESC=C/C=C(\N(C)C(C)C)C(F)(F)F
InChIInChI=1S/C9H14F3N/c1-5-6-8(9(10,11)12)13(4)7(2)3/h5-7H,1H2,2-4H3/b8-6-
InChIKeyYRGPLTNXXSZZEM-VURMDHGXSA-N
MW193.21 g/mol
LogP2.96
Rot. Bonds3

About (2Z)-1,1,1-trifluoro-N-methyl-N-propan-2-ylpenta-2,4-dien-2-amine

(2Z)-1,1,1-trifluoro-N-methyl-N-propan-2-ylpenta-2,4-dien-2-amine (PubChem CID 170067478) has the molecular formula C9H14F3N and a molecular weight of 193.21 g/mol. Its IUPAC name is (2Z)-1,1,1-trifluoro-N-methyl-N-propan-2-ylpenta-2,4-dien-2-amine.

Molecular Properties

Compound Name(2Z)-1,1,1-trifluoro-N-methyl-N-propan-2-ylpenta-2,4-dien-2-amine
PubChem CID170067478
Molecular FormulaC9H14F3N
Molecular Weight193.21 g/mol
Exact Mass193.11
IUPAC Name(2Z)-1,1,1-trifluoro-N-methyl-N-propan-2-ylpenta-2,4-dien-2-amine
SMILESC=C/C=C(\N(C)C(C)C)C(F)(F)F
InChIInChI=1S/C9H14F3N/c1-5-6-8(9(10,11)12)13(4)7(2)3/h5-7H,1H2,2-4H3/b8-6-
InChIKeyYRGPLTNXXSZZEM-VURMDHGXSA-N
XLogP2.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2Z)-1,1,1-trifluoro-N-methyl-N-propan-2-ylpenta-2,4-dien-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2Z)-1,1,1-trifluoro-N-methyl-N-propan-2-ylpenta-2,4-dien-2-amine?
The IUPAC name of (2Z)-1,1,1-trifluoro-N-methyl-N-propan-2-ylpenta-2,4-dien-2-amine (CID 170067478) is (2Z)-1,1,1-trifluoro-N-methyl-N-propan-2-ylpenta-2,4-dien-2-amine.
What is the SMILES notation for (2Z)-1,1,1-trifluoro-N-methyl-N-propan-2-ylpenta-2,4-dien-2-amine?
The canonical SMILES for (2Z)-1,1,1-trifluoro-N-methyl-N-propan-2-ylpenta-2,4-dien-2-amine is C=C/C=C(\N(C)C(C)C)C(F)(F)F.
What is the InChIKey of (2Z)-1,1,1-trifluoro-N-methyl-N-propan-2-ylpenta-2,4-dien-2-amine?
The InChIKey is YRGPLTNXXSZZEM-VURMDHGXSA-N. The full InChI is InChI=1S/C9H14F3N/c1-5-6-8(9(10,11)12)13(4)7(2)3/h5-7H,1H2,2-4H3/b8-6-.
What are the key properties of (2Z)-1,1,1-trifluoro-N-methyl-N-propan-2-ylpenta-2,4-dien-2-amine?
(2Z)-1,1,1-trifluoro-N-methyl-N-propan-2-ylpenta-2,4-dien-2-amine has a molecular weight of 193.21 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-1,1,1-trifluoro-N-methyl-N-propan-2-ylpenta-2,4-dien-2-amine is sourced from PubChem (CID 170067478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).