(2E)-4-fluoro-N-methyl-N-(2,2,2-trifluoroethyl)penta-2,4-dien-2-amine

C8H11F4N — CID 145356125

IUPAC(2E)-4-fluoro-N-methyl-N-(2,2,2-trifluoroethyl)penta-2,4-dien-2-amine
SMILESC=C(F)/C=C(\C)N(C)CC(F)(F)F
InChIInChI=1S/C8H11F4N/c1-6(9)4-7(2)13(3)5-8(10,11)12/h4H,1,5H2,2-3H3/b7-4+
InChIKeySGJMHZFVPNOTIX-QPJJXVBHSA-N
MW197.17 g/mol
LogP2.87
Rot. Bonds3

About (2E)-4-fluoro-N-methyl-N-(2,2,2-trifluoroethyl)penta-2,4-dien-2-amine

(2E)-4-fluoro-N-methyl-N-(2,2,2-trifluoroethyl)penta-2,4-dien-2-amine (PubChem CID 145356125) has the molecular formula C8H11F4N and a molecular weight of 197.17 g/mol. Its IUPAC name is (2E)-4-fluoro-N-methyl-N-(2,2,2-trifluoroethyl)penta-2,4-dien-2-amine.

Molecular Properties

Compound Name(2E)-4-fluoro-N-methyl-N-(2,2,2-trifluoroethyl)penta-2,4-dien-2-amine
PubChem CID145356125
Molecular FormulaC8H11F4N
Molecular Weight197.17 g/mol
Exact Mass197.08
IUPAC Name(2E)-4-fluoro-N-methyl-N-(2,2,2-trifluoroethyl)penta-2,4-dien-2-amine
SMILESC=C(F)/C=C(\C)N(C)CC(F)(F)F
InChIInChI=1S/C8H11F4N/c1-6(9)4-7(2)13(3)5-8(10,11)12/h4H,1,5H2,2-3H3/b7-4+
InChIKeySGJMHZFVPNOTIX-QPJJXVBHSA-N
XLogP2.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.17
LogP ≤ 52.87
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

4-bromo-N-methyl-N-(3,3,3-trifluoropropyl)hexa-2,4-dien-2-amine
CID 123383683
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
1-methyl-6-(trifluoromethyl)-2H-pyridine
CID 153923992
5-fluoro-1,6-dimethyl-3-(trifluoromethyl)-2H-pyridine
CID 155001346
(2E,4Z)-N-(3,3-difluorobutan-2-yl)-N-methylhexa-2,4-dien-2-amine
CID 156741113

Frequently Asked Questions

What is the IUPAC name of (2E)-4-fluoro-N-methyl-N-(2,2,2-trifluoroethyl)penta-2,4-dien-2-amine?
The IUPAC name of (2E)-4-fluoro-N-methyl-N-(2,2,2-trifluoroethyl)penta-2,4-dien-2-amine (CID 145356125) is (2E)-4-fluoro-N-methyl-N-(2,2,2-trifluoroethyl)penta-2,4-dien-2-amine.
What is the SMILES notation for (2E)-4-fluoro-N-methyl-N-(2,2,2-trifluoroethyl)penta-2,4-dien-2-amine?
The canonical SMILES for (2E)-4-fluoro-N-methyl-N-(2,2,2-trifluoroethyl)penta-2,4-dien-2-amine is C=C(F)/C=C(\C)N(C)CC(F)(F)F.
What is the InChIKey of (2E)-4-fluoro-N-methyl-N-(2,2,2-trifluoroethyl)penta-2,4-dien-2-amine?
The InChIKey is SGJMHZFVPNOTIX-QPJJXVBHSA-N. The full InChI is InChI=1S/C8H11F4N/c1-6(9)4-7(2)13(3)5-8(10,11)12/h4H,1,5H2,2-3H3/b7-4+.
What are the key properties of (2E)-4-fluoro-N-methyl-N-(2,2,2-trifluoroethyl)penta-2,4-dien-2-amine?
(2E)-4-fluoro-N-methyl-N-(2,2,2-trifluoroethyl)penta-2,4-dien-2-amine has a molecular weight of 197.17 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-4-fluoro-N-methyl-N-(2,2,2-trifluoroethyl)penta-2,4-dien-2-amine is sourced from PubChem (CID 145356125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).