5-bromo-N-(2,2-difluoroethyl)-N-methylhepta-3,5-dien-3-amine

C10H16BrF2N — CID 123486641

IUPAC5-bromo-N-(2,2-difluoroethyl)-N-methylhepta-3,5-dien-3-amine
SMILESCC=C(Br)C=C(CC)N(C)CC(F)F
InChIInChI=1S/C10H16BrF2N/c1-4-8(11)6-9(5-2)14(3)7-10(12)13/h4,6,10H,5,7H2,1-3H3
InChIKeyMUZKXKHRSUJKNG-UHFFFAOYSA-N
MW268.14 g/mol
LogP3.78
Rot. Bonds5

About 5-bromo-N-(2,2-difluoroethyl)-N-methylhepta-3,5-dien-3-amine

5-bromo-N-(2,2-difluoroethyl)-N-methylhepta-3,5-dien-3-amine (PubChem CID 123486641) has the molecular formula C10H16BrF2N and a molecular weight of 268.14 g/mol. Its IUPAC name is 5-bromo-N-(2,2-difluoroethyl)-N-methylhepta-3,5-dien-3-amine.

Molecular Properties

Compound Name5-bromo-N-(2,2-difluoroethyl)-N-methylhepta-3,5-dien-3-amine
PubChem CID123486641
Molecular FormulaC10H16BrF2N
Molecular Weight268.14 g/mol
Exact Mass267.04
IUPAC Name5-bromo-N-(2,2-difluoroethyl)-N-methylhepta-3,5-dien-3-amine
SMILESCC=C(Br)C=C(CC)N(C)CC(F)F
InChIInChI=1S/C10H16BrF2N/c1-4-8(11)6-9(5-2)14(3)7-10(12)13/h4,6,10H,5,7H2,1-3H3
InChIKeyMUZKXKHRSUJKNG-UHFFFAOYSA-N
XLogP3.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.14
LogP ≤ 53.78
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
4-bromo-N-(2-fluoroethyl)-N-methylcyclohexa-1,3-dien-1-amine
CID 163884437
3-Bromo-1-(2,2-difluoroethyl)-5-methyl-2-methylidenepyridine
CID 157978921
3-Bromo-5-methyl-2-methylidene-1-(2,2,2-trifluoroethyl)pyridine
CID 161297792
Cyclopenta-1,3-dien-1-yl-dimethyl-(2,2,2-trifluoroethyl)azanium
CID 174278721
(3Z)-2,2-difluoro-N,5-dimethyl-N-prop-1-en-2-ylhexa-3,5-dien-3-amine
CID 177135534
1-(2,2-Difluoroethyl)-5,7-dimethyl-2,3-dihydroazepine;ethane
CID 153556774
5-bromo-N,N-diethylcyclohepta-1,3,5-trien-1-amine
CID 21764631

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,2-difluoroethyl)-N-methylhepta-3,5-dien-3-amine?
The IUPAC name of 5-bromo-N-(2,2-difluoroethyl)-N-methylhepta-3,5-dien-3-amine (CID 123486641) is 5-bromo-N-(2,2-difluoroethyl)-N-methylhepta-3,5-dien-3-amine.
What is the SMILES notation for 5-bromo-N-(2,2-difluoroethyl)-N-methylhepta-3,5-dien-3-amine?
The canonical SMILES for 5-bromo-N-(2,2-difluoroethyl)-N-methylhepta-3,5-dien-3-amine is CC=C(Br)C=C(CC)N(C)CC(F)F.
What is the InChIKey of 5-bromo-N-(2,2-difluoroethyl)-N-methylhepta-3,5-dien-3-amine?
The InChIKey is MUZKXKHRSUJKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrF2N/c1-4-8(11)6-9(5-2)14(3)7-10(12)13/h4,6,10H,5,7H2,1-3H3.
What are the key properties of 5-bromo-N-(2,2-difluoroethyl)-N-methylhepta-3,5-dien-3-amine?
5-bromo-N-(2,2-difluoroethyl)-N-methylhepta-3,5-dien-3-amine has a molecular weight of 268.14 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,2-difluoroethyl)-N-methylhepta-3,5-dien-3-amine is sourced from PubChem (CID 123486641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).