(2E)-N-methyl-3-(trifluoromethyl)penta-2,4-dien-2-amine

C7H10F3N — CID 130429585

IUPAC(2E)-N-methyl-3-(trifluoromethyl)penta-2,4-dien-2-amine
SMILESC=C/C(=C(/C)NC)C(F)(F)F
InChIInChI=1S/C7H10F3N/c1-4-6(5(2)11-3)7(8,9)10/h4,11H,1H2,2-3H3/b6-5+
InChIKeyCDTJBINNHLYHHU-AATRIKPKSA-N
MW165.16 g/mol
LogP2.23
Rot. Bonds2

About (2E)-N-methyl-3-(trifluoromethyl)penta-2,4-dien-2-amine

(2E)-N-methyl-3-(trifluoromethyl)penta-2,4-dien-2-amine (PubChem CID 130429585) has the molecular formula C7H10F3N and a molecular weight of 165.16 g/mol. Its IUPAC name is (2E)-N-methyl-3-(trifluoromethyl)penta-2,4-dien-2-amine.

Molecular Properties

Compound Name(2E)-N-methyl-3-(trifluoromethyl)penta-2,4-dien-2-amine
PubChem CID130429585
Molecular FormulaC7H10F3N
Molecular Weight165.16 g/mol
Exact Mass165.08
IUPAC Name(2E)-N-methyl-3-(trifluoromethyl)penta-2,4-dien-2-amine
SMILESC=C/C(=C(/C)NC)C(F)(F)F
InChIInChI=1S/C7H10F3N/c1-4-6(5(2)11-3)7(8,9)10/h4,11H,1H2,2-3H3/b6-5+
InChIKeyCDTJBINNHLYHHU-AATRIKPKSA-N
XLogP2.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.16
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3E,5Z)-N-methyl-7-(trifluoromethyl)octa-3,5,7-trien-4-amine
CID 89073825
(3E)-N-methyl-3-(trifluoromethyl)hexa-1,3,5-trien-2-amine
CID 130377922
(2Z)-1,1-difluoro-N-methylpenta-2,4-dien-2-amine
CID 135234850
N-methyl-2-(trifluoromethyl)cyclohepta-1,3,6-trien-1-amine
CID 142849700
(3E)-N-methyl-4-(trifluoromethyl)hexa-1,3,5-trien-2-amine
CID 143206128
(3E)-5-fluoro-N,4-dimethylhexa-1,3,5-trien-3-amine
CID 143782128
(4E)-N,2-dimethyl-5-(trifluoromethyl)hepta-2,4,6-trien-3-amine
CID 144203875
(3E)-2-fluoro-N,4-dimethylhexa-1,3,5-trien-3-amine
CID 144767318
(3E)-N-ethyl-5-fluoro-4-methylhexa-1,3,5-trien-3-amine
CID 144983839
(2E,4E)-N,5-dimethyl-4-(trifluoromethyl)hepta-2,4,6-trien-2-amine
CID 146671387
(1E,3E,5E)-1,7-difluoro-N,3,6-trimethylhepta-1,3,5-trien-4-amine
CID 166850149
(2Z)-N-(bromomethyl)-3-(trifluoromethyl)penta-2,4-dien-2-amine
CID 167034665

Frequently Asked Questions

What is the IUPAC name of (2E)-N-methyl-3-(trifluoromethyl)penta-2,4-dien-2-amine?
The IUPAC name of (2E)-N-methyl-3-(trifluoromethyl)penta-2,4-dien-2-amine (CID 130429585) is (2E)-N-methyl-3-(trifluoromethyl)penta-2,4-dien-2-amine.
What is the SMILES notation for (2E)-N-methyl-3-(trifluoromethyl)penta-2,4-dien-2-amine?
The canonical SMILES for (2E)-N-methyl-3-(trifluoromethyl)penta-2,4-dien-2-amine is C=C/C(=C(/C)NC)C(F)(F)F.
What is the InChIKey of (2E)-N-methyl-3-(trifluoromethyl)penta-2,4-dien-2-amine?
The InChIKey is CDTJBINNHLYHHU-AATRIKPKSA-N. The full InChI is InChI=1S/C7H10F3N/c1-4-6(5(2)11-3)7(8,9)10/h4,11H,1H2,2-3H3/b6-5+.
What are the key properties of (2E)-N-methyl-3-(trifluoromethyl)penta-2,4-dien-2-amine?
(2E)-N-methyl-3-(trifluoromethyl)penta-2,4-dien-2-amine has a molecular weight of 165.16 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-methyl-3-(trifluoromethyl)penta-2,4-dien-2-amine is sourced from PubChem (CID 130429585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).