(2Z)-N-ethyl-1,1,1-trifluoro-N-methylpenta-2,4-dien-2-amine

C8H12F3N — CID 159102843

IUPAC(2Z)-N-ethyl-1,1,1-trifluoro-N-methylpenta-2,4-dien-2-amine
SMILESC=C/C=C(\N(C)CC)C(F)(F)F
InChIInChI=1S/C8H12F3N/c1-4-6-7(8(9,10)11)12(3)5-2/h4,6H,1,5H2,2-3H3/b7-6-
InChIKeyKDMPQQKSQFESMC-SREVYHEPSA-N
MW179.19 g/mol
LogP2.57
Rot. Bonds3

About (2Z)-N-ethyl-1,1,1-trifluoro-N-methylpenta-2,4-dien-2-amine

(2Z)-N-ethyl-1,1,1-trifluoro-N-methylpenta-2,4-dien-2-amine (PubChem CID 159102843) has the molecular formula C8H12F3N and a molecular weight of 179.19 g/mol. Its IUPAC name is (2Z)-N-ethyl-1,1,1-trifluoro-N-methylpenta-2,4-dien-2-amine.

Molecular Properties

Compound Name(2Z)-N-ethyl-1,1,1-trifluoro-N-methylpenta-2,4-dien-2-amine
PubChem CID159102843
Molecular FormulaC8H12F3N
Molecular Weight179.19 g/mol
Exact Mass179.09
IUPAC Name(2Z)-N-ethyl-1,1,1-trifluoro-N-methylpenta-2,4-dien-2-amine
SMILESC=C/C=C(\N(C)CC)C(F)(F)F
InChIInChI=1S/C8H12F3N/c1-4-6-7(8(9,10)11)12(3)5-2/h4,6H,1,5H2,2-3H3/b7-6-
InChIKeyKDMPQQKSQFESMC-SREVYHEPSA-N
XLogP2.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
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

1-(1,1,1-trifluoro-2-methylpropan-2-yl)-2H-pyridine
CID 90423426
4-bromo-N-methyl-N-(3,3,3-trifluoropropyl)hexa-2,4-dien-2-amine
CID 123383683
3-fluoro-N,N-dimethylhexa-1,3,5-trien-2-amine
CID 123814892
4-bromo-N-(2,2-difluoroethyl)-N-methylhexa-2,4-dien-2-amine
CID 123855399
N-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)penta-2,4-dien-2-amine
CID 123892342
5-fluoro-N,N-dimethylhexa-2,4-dien-2-amine
CID 123986678
(2Z)-1,1,1-trifluoro-N,N-dimethylpenta-2,4-dien-2-amine
CID 139385369
ethane;(2E,4E)-N-ethyl-6,6,6-trifluoro-N,5-dimethylhexa-2,4-dien-2-amine
CID 144539785
3-(difluoromethyl)-1,6-dimethyl-2H-pyridine
CID 145272368
ethane;(2E)-4-fluoro-N-methyl-N-(2,2,2-trifluoroethyl)penta-2,4-dien-2-amine
CID 145356124
1,3-dimethyl-6-(trifluoromethyl)-2H-pyridine
CID 145362056
(3E)-5-fluoro-N,N-dimethylhexa-1,3,5-trien-3-amine
CID 145466323

Frequently Asked Questions

What is the IUPAC name of (2Z)-N-ethyl-1,1,1-trifluoro-N-methylpenta-2,4-dien-2-amine?
The IUPAC name of (2Z)-N-ethyl-1,1,1-trifluoro-N-methylpenta-2,4-dien-2-amine (CID 159102843) is (2Z)-N-ethyl-1,1,1-trifluoro-N-methylpenta-2,4-dien-2-amine.
What is the SMILES notation for (2Z)-N-ethyl-1,1,1-trifluoro-N-methylpenta-2,4-dien-2-amine?
The canonical SMILES for (2Z)-N-ethyl-1,1,1-trifluoro-N-methylpenta-2,4-dien-2-amine is C=C/C=C(\N(C)CC)C(F)(F)F.
What is the InChIKey of (2Z)-N-ethyl-1,1,1-trifluoro-N-methylpenta-2,4-dien-2-amine?
The InChIKey is KDMPQQKSQFESMC-SREVYHEPSA-N. The full InChI is InChI=1S/C8H12F3N/c1-4-6-7(8(9,10)11)12(3)5-2/h4,6H,1,5H2,2-3H3/b7-6-.
What are the key properties of (2Z)-N-ethyl-1,1,1-trifluoro-N-methylpenta-2,4-dien-2-amine?
(2Z)-N-ethyl-1,1,1-trifluoro-N-methylpenta-2,4-dien-2-amine has a molecular weight of 179.19 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-ethyl-1,1,1-trifluoro-N-methylpenta-2,4-dien-2-amine is sourced from PubChem (CID 159102843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).