N-(2-bromoprop-2-enyl)-4,4,4-trifluorobutan-1-amine

C7H11BrF3N — CID 115518150

IUPACN-(2-bromoprop-2-enyl)-4,4,4-trifluorobutan-1-amine
SMILESC=C(Br)CNCCCC(F)(F)F
InChIInChI=1S/C7H11BrF3N/c1-6(8)5-12-4-2-3-7(9,10)11/h12H,1-5H2
InChIKeyAIHJGHUYVPSVMC-UHFFFAOYSA-N
MW246.07 g/mol
LogP2.83
Rot. Bonds5

About N-(2-bromoprop-2-enyl)-4,4,4-trifluorobutan-1-amine

N-(2-bromoprop-2-enyl)-4,4,4-trifluorobutan-1-amine (PubChem CID 115518150) has the molecular formula C7H11BrF3N and a molecular weight of 246.07 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-4,4,4-trifluorobutan-1-amine.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-4,4,4-trifluorobutan-1-amine
PubChem CID115518150
Molecular FormulaC7H11BrF3N
Molecular Weight246.07 g/mol
Exact Mass245.00
IUPAC NameN-(2-bromoprop-2-enyl)-4,4,4-trifluorobutan-1-amine
SMILESC=C(Br)CNCCCC(F)(F)F
InChIInChI=1S/C7H11BrF3N/c1-6(8)5-12-4-2-3-7(9,10)11/h12H,1-5H2
InChIKeyAIHJGHUYVPSVMC-UHFFFAOYSA-N
XLogP2.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.07
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N'-(4,4,4-trifluorobutyl)ethane-1,2-diamine
CID 115513664
2-bromo-N-propylprop-2-en-1-amine
CID 60873947
tert-butyl 2-(4,4,4-trifluorobutylamino)acetate
CID 58330495
ethyl 2-(4,4,4-trifluorobutylamino)acetate
CID 115513560
N-(2-bromoprop-2-enyl)-N',N'-diethylpropane-1,3-diamine
CID 60872428
2-bromo-N-(3-methylsulfonylpropyl)prop-2-en-1-amine
CID 61019858
N-(4,4,4-trifluorobutyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 115520284
N'-(4,4,4-trifluorobutyl)propane-1,3-diamine
CID 115513666
4,4,4-trifluoro-N-(2-methylsulfanylethyl)butan-1-amine
CID 115513722
1,1,1-trifluoro-3-(4,4,4-trifluorobutylamino)propan-2-ol
CID 115518334
4-(4,4,4-trifluorobutylamino)butanamide
CID 115513564
N-methyl-N'-(4,4,4-trifluorobutyl)butane-1,4-diamine
CID 115520274

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-4,4,4-trifluorobutan-1-amine?
The IUPAC name of N-(2-bromoprop-2-enyl)-4,4,4-trifluorobutan-1-amine (CID 115518150) is N-(2-bromoprop-2-enyl)-4,4,4-trifluorobutan-1-amine.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-4,4,4-trifluorobutan-1-amine?
The canonical SMILES for N-(2-bromoprop-2-enyl)-4,4,4-trifluorobutan-1-amine is C=C(Br)CNCCCC(F)(F)F.
What is the InChIKey of N-(2-bromoprop-2-enyl)-4,4,4-trifluorobutan-1-amine?
The InChIKey is AIHJGHUYVPSVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrF3N/c1-6(8)5-12-4-2-3-7(9,10)11/h12H,1-5H2.
What are the key properties of N-(2-bromoprop-2-enyl)-4,4,4-trifluorobutan-1-amine?
N-(2-bromoprop-2-enyl)-4,4,4-trifluorobutan-1-amine has a molecular weight of 246.07 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-4,4,4-trifluorobutan-1-amine is sourced from PubChem (CID 115518150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).