(2Z)-N-(bromomethyl)-3-(trifluoromethyl)penta-2,4-dien-2-amine

C7H9BrF3N — CID 167034665

IUPAC(2Z)-N-(bromomethyl)-3-(trifluoromethyl)penta-2,4-dien-2-amine
SMILESC=C/C(=C(\C)NCBr)C(F)(F)F
InChIInChI=1S/C7H9BrF3N/c1-3-6(7(9,10)11)5(2)12-4-8/h3,12H,1,4H2,2H3/b6-5-
InChIKeyCWYIORDKVFJOCW-WAYWQWQTSA-N
MW244.05 g/mol
LogP2.95
Rot. Bonds3

About (2Z)-N-(bromomethyl)-3-(trifluoromethyl)penta-2,4-dien-2-amine

(2Z)-N-(bromomethyl)-3-(trifluoromethyl)penta-2,4-dien-2-amine (PubChem CID 167034665) has the molecular formula C7H9BrF3N and a molecular weight of 244.05 g/mol. Its IUPAC name is (2Z)-N-(bromomethyl)-3-(trifluoromethyl)penta-2,4-dien-2-amine.

Molecular Properties

Compound Name(2Z)-N-(bromomethyl)-3-(trifluoromethyl)penta-2,4-dien-2-amine
PubChem CID167034665
Molecular FormulaC7H9BrF3N
Molecular Weight244.05 g/mol
Exact Mass242.99
IUPAC Name(2Z)-N-(bromomethyl)-3-(trifluoromethyl)penta-2,4-dien-2-amine
SMILESC=C/C(=C(\C)NCBr)C(F)(F)F
InChIInChI=1S/C7H9BrF3N/c1-3-6(7(9,10)11)5(2)12-4-8/h3,12H,1,4H2,2H3/b6-5-
InChIKeyCWYIORDKVFJOCW-WAYWQWQTSA-N
XLogP2.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.05
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2E)-N-methyl-3-(trifluoromethyl)penta-2,4-dien-2-amine
CID 130429585
(4E)-N,2-dimethyl-5-(trifluoromethyl)hepta-2,4,6-trien-3-amine
CID 144203875
(3Z)-N-methyl-4-(trifluoromethyl)hexa-1,3,5-trien-3-amine
CID 164590236

Frequently Asked Questions

What is the IUPAC name of (2Z)-N-(bromomethyl)-3-(trifluoromethyl)penta-2,4-dien-2-amine?
The IUPAC name of (2Z)-N-(bromomethyl)-3-(trifluoromethyl)penta-2,4-dien-2-amine (CID 167034665) is (2Z)-N-(bromomethyl)-3-(trifluoromethyl)penta-2,4-dien-2-amine.
What is the SMILES notation for (2Z)-N-(bromomethyl)-3-(trifluoromethyl)penta-2,4-dien-2-amine?
The canonical SMILES for (2Z)-N-(bromomethyl)-3-(trifluoromethyl)penta-2,4-dien-2-amine is C=C/C(=C(\C)NCBr)C(F)(F)F.
What is the InChIKey of (2Z)-N-(bromomethyl)-3-(trifluoromethyl)penta-2,4-dien-2-amine?
The InChIKey is CWYIORDKVFJOCW-WAYWQWQTSA-N. The full InChI is InChI=1S/C7H9BrF3N/c1-3-6(7(9,10)11)5(2)12-4-8/h3,12H,1,4H2,2H3/b6-5-.
What are the key properties of (2Z)-N-(bromomethyl)-3-(trifluoromethyl)penta-2,4-dien-2-amine?
(2Z)-N-(bromomethyl)-3-(trifluoromethyl)penta-2,4-dien-2-amine has a molecular weight of 244.05 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-(bromomethyl)-3-(trifluoromethyl)penta-2,4-dien-2-amine is sourced from PubChem (CID 167034665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).