(2Z)-N,N-dimethyl-4-(trifluoromethyl)penta-2,4-dien-2-amine

C8H12F3N — CID 129041662

IUPAC(2Z)-N,N-dimethyl-4-(trifluoromethyl)penta-2,4-dien-2-amine
SMILESC=C(/C=C(/C)N(C)C)C(F)(F)F
InChIInChI=1S/C8H12F3N/c1-6(8(9,10)11)5-7(2)12(3)4/h5H,1H2,2-4H3/b7-5-
InChIKeyJOAWZAQTJVLFJQ-ALCCZGGFSA-N
MW179.18 g/mol
LogP2.57
Rot. Bonds2

About (2Z)-N,N-dimethyl-4-(trifluoromethyl)penta-2,4-dien-2-amine

(2Z)-N,N-dimethyl-4-(trifluoromethyl)penta-2,4-dien-2-amine (PubChem CID 129041662) has the molecular formula C8H12F3N and a molecular weight of 179.18 g/mol. Its IUPAC name is (2Z)-N,N-dimethyl-4-(trifluoromethyl)penta-2,4-dien-2-amine.

Molecular Properties

Compound Name(2Z)-N,N-dimethyl-4-(trifluoromethyl)penta-2,4-dien-2-amine
PubChem CID129041662
Molecular FormulaC8H12F3N
Molecular Weight179.18 g/mol
Exact Mass179.09
IUPAC Name(2Z)-N,N-dimethyl-4-(trifluoromethyl)penta-2,4-dien-2-amine
SMILESC=C(/C=C(/C)N(C)C)C(F)(F)F
InChIInChI=1S/C8H12F3N/c1-6(8(9,10)11)5-7(2)12(3)4/h5H,1H2,2-4H3/b7-5-
InChIKeyJOAWZAQTJVLFJQ-ALCCZGGFSA-N
XLogP2.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

lithium N,N-dimethyl-4-(trifluoromethyl)benzene-5-id-1-amine
CID 57534395
magnesium;N,N-dimethyl-4-(trifluoromethyl)benzene-5-id-1-amine;bromide
CID 57534410
(Z)-5,5,5-trifluoro-N,N,4-trimethylpent-2-en-2-amine
CID 88889222
1-Ethyl-2,4-bis(trifluoromethyl)-1-azacyclohepta-2,4,5-triene
CID 90084212
2-Ethyl-1,1,5-trimethyl-3-(trifluoromethyl)pyrrol-1-ium
CID 123139499
N,N,3-trimethyl-6-(trifluoromethyl)deca-2,4,6-trien-4-amine
CID 123265710
N-[4-(trifluoromethyl)penta-2,4-dien-2-yl]methanimine
CID 123476058
1-Ethyl-2-methylidene-5-(trifluoromethyl)pyridine
CID 123548735
1,6-dimethyl-4-(trifluoromethyl)-2H-pyridine
CID 123633847
3-(2-Fluoroethyl)-1,2-dimethyl-5-(trifluoromethyl)azepine
CID 137467856
1,6-dimethyl-4-[(E)-prop-1-enyl]-3-(trifluoromethyl)-2H-pyridine
CID 138509575
(2E)-3-fluoro-N,N,4-trimethylpenta-2,4-dien-2-amine
CID 139386354

Frequently Asked Questions

What is the IUPAC name of (2Z)-N,N-dimethyl-4-(trifluoromethyl)penta-2,4-dien-2-amine?
The IUPAC name of (2Z)-N,N-dimethyl-4-(trifluoromethyl)penta-2,4-dien-2-amine (CID 129041662) is (2Z)-N,N-dimethyl-4-(trifluoromethyl)penta-2,4-dien-2-amine.
What is the SMILES notation for (2Z)-N,N-dimethyl-4-(trifluoromethyl)penta-2,4-dien-2-amine?
The canonical SMILES for (2Z)-N,N-dimethyl-4-(trifluoromethyl)penta-2,4-dien-2-amine is C=C(/C=C(/C)N(C)C)C(F)(F)F.
What is the InChIKey of (2Z)-N,N-dimethyl-4-(trifluoromethyl)penta-2,4-dien-2-amine?
The InChIKey is JOAWZAQTJVLFJQ-ALCCZGGFSA-N. The full InChI is InChI=1S/C8H12F3N/c1-6(8(9,10)11)5-7(2)12(3)4/h5H,1H2,2-4H3/b7-5-.
What are the key properties of (2Z)-N,N-dimethyl-4-(trifluoromethyl)penta-2,4-dien-2-amine?
(2Z)-N,N-dimethyl-4-(trifluoromethyl)penta-2,4-dien-2-amine has a molecular weight of 179.18 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N,N-dimethyl-4-(trifluoromethyl)penta-2,4-dien-2-amine is sourced from PubChem (CID 129041662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).