4-bromo-N-methyl-N-(3,3,3-trifluoropropyl)hexa-2,4-dien-2-amine

C10H15BrF3N — CID 123383683

IUPAC4-bromo-N-methyl-N-(3,3,3-trifluoropropyl)hexa-2,4-dien-2-amine
SMILESCC=C(Br)C=C(C)N(C)CCC(F)(F)F
InChIInChI=1S/C10H15BrF3N/c1-4-9(11)7-8(2)15(3)6-5-10(12,13)14/h4,7H,5-6H2,1-3H3
InChIKeyRPIXIERANROMQJ-UHFFFAOYSA-N
MW286.13 g/mol
LogP4.07
Rot. Bonds4

About 4-bromo-N-methyl-N-(3,3,3-trifluoropropyl)hexa-2,4-dien-2-amine

4-bromo-N-methyl-N-(3,3,3-trifluoropropyl)hexa-2,4-dien-2-amine (PubChem CID 123383683) has the molecular formula C10H15BrF3N and a molecular weight of 286.13 g/mol. Its IUPAC name is 4-bromo-N-methyl-N-(3,3,3-trifluoropropyl)hexa-2,4-dien-2-amine.

Molecular Properties

Compound Name4-bromo-N-methyl-N-(3,3,3-trifluoropropyl)hexa-2,4-dien-2-amine
PubChem CID123383683
Molecular FormulaC10H15BrF3N
Molecular Weight286.13 g/mol
Exact Mass285.03
IUPAC Name4-bromo-N-methyl-N-(3,3,3-trifluoropropyl)hexa-2,4-dien-2-amine
SMILESCC=C(Br)C=C(C)N(C)CCC(F)(F)F
InChIInChI=1S/C10H15BrF3N/c1-4-9(11)7-8(2)15(3)6-5-10(12,13)14/h4,7H,5-6H2,1-3H3
InChIKeyRPIXIERANROMQJ-UHFFFAOYSA-N
XLogP4.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.13
LogP ≤ 54.07
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

3-bromo-6-(difluoromethyl)-1-methyl-2H-pyridine
CID 71173072
5-bromo-N-(2,2-difluoroethyl)-N-methylhepta-3,5-dien-3-amine
CID 123486641
4-bromo-N-(2,2-difluoroethyl)-N-methylhexa-2,4-dien-2-amine
CID 123855399
(2Z)-N-ethyl-1,1,1-trifluoro-N-methylpenta-2,4-dien-2-amine
CID 159102843
5-bromo-6-methyl-1-(2,2,2-trifluoroethyl)-2H-pyridine
CID 177778821
(2E)-4-fluoro-N-methyl-N-(2,2,2-trifluoroethyl)penta-2,4-dien-2-amine
CID 145356125
5-Bromo-2-ethylidene-1-(2,2,2-trifluoroethyl)pyridine
CID 145669859
(2E)-4-bromo-N-ethyl-N-methylpenta-2,4-dien-2-amine
CID 89286512

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-methyl-N-(3,3,3-trifluoropropyl)hexa-2,4-dien-2-amine?
The IUPAC name of 4-bromo-N-methyl-N-(3,3,3-trifluoropropyl)hexa-2,4-dien-2-amine (CID 123383683) is 4-bromo-N-methyl-N-(3,3,3-trifluoropropyl)hexa-2,4-dien-2-amine.
What is the SMILES notation for 4-bromo-N-methyl-N-(3,3,3-trifluoropropyl)hexa-2,4-dien-2-amine?
The canonical SMILES for 4-bromo-N-methyl-N-(3,3,3-trifluoropropyl)hexa-2,4-dien-2-amine is CC=C(Br)C=C(C)N(C)CCC(F)(F)F.
What is the InChIKey of 4-bromo-N-methyl-N-(3,3,3-trifluoropropyl)hexa-2,4-dien-2-amine?
The InChIKey is RPIXIERANROMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrF3N/c1-4-9(11)7-8(2)15(3)6-5-10(12,13)14/h4,7H,5-6H2,1-3H3.
What are the key properties of 4-bromo-N-methyl-N-(3,3,3-trifluoropropyl)hexa-2,4-dien-2-amine?
4-bromo-N-methyl-N-(3,3,3-trifluoropropyl)hexa-2,4-dien-2-amine has a molecular weight of 286.13 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-methyl-N-(3,3,3-trifluoropropyl)hexa-2,4-dien-2-amine is sourced from PubChem (CID 123383683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).