N-(2-bromoethyl)-2,2,2-trifluoro-N-[2-(oxolan-2-yl)ethyl]ethanamine

C10H17BrF3NO — CID 107488561

IUPACN-(2-bromoethyl)-2,2,2-trifluoro-N-[2-(oxolan-2-yl)ethyl]ethanamine
SMILESFC(F)(F)CN(CCBr)CCC1CCCO1
InChIInChI=1S/C10H17BrF3NO/c11-4-6-15(8-10(12,13)14)5-3-9-2-1-7-16-9/h9H,1-8H2
InChIKeyHPHDINRFMDEZPO-UHFFFAOYSA-N
MW304.15 g/mol
LogP2.81
Rot. Bonds6

About N-(2-bromoethyl)-2,2,2-trifluoro-N-[2-(oxolan-2-yl)ethyl]ethanamine

N-(2-bromoethyl)-2,2,2-trifluoro-N-[2-(oxolan-2-yl)ethyl]ethanamine (PubChem CID 107488561) has the molecular formula C10H17BrF3NO and a molecular weight of 304.15 g/mol. Its IUPAC name is N-(2-bromoethyl)-2,2,2-trifluoro-N-[2-(oxolan-2-yl)ethyl]ethanamine.

Molecular Properties

Compound NameN-(2-bromoethyl)-2,2,2-trifluoro-N-[2-(oxolan-2-yl)ethyl]ethanamine
PubChem CID107488561
Molecular FormulaC10H17BrF3NO
Molecular Weight304.15 g/mol
Exact Mass303.04
IUPAC NameN-(2-bromoethyl)-2,2,2-trifluoro-N-[2-(oxolan-2-yl)ethyl]ethanamine
SMILESFC(F)(F)CN(CCBr)CCC1CCCO1
InChIInChI=1S/C10H17BrF3NO/c11-4-6-15(8-10(12,13)14)5-3-9-2-1-7-16-9/h9H,1-8H2
InChIKeyHPHDINRFMDEZPO-UHFFFAOYSA-N
XLogP2.81
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.15
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromoethyl)-N-[2-(oxolan-2-yl)ethyl]cyclopropanamine
CID 80670025
N-(2-bromoethyl)-N-[2-(oxolan-2-yl)ethyl]propan-2-amine
CID 80671629
2-(3-bromopropyl)oxolane
CID 15783712
1-N,2-dimethyl-1-N-[2-(oxolan-2-yl)ethyl]propane-1,2-diamine
CID 120857063
1,1,1-trifluoro-5-(oxolan-2-yl)pentan-3-amine
CID 65164286
2-[ethyl-[2-(oxolan-2-yl)ethyl]amino]ethanethioamide
CID 65161112
2-ethyloxolane;trifluoroborane
CID 175114476
1-(2-bromoethyl)-4-[2-(oxolan-2-yl)ethyl]piperazine
CID 80673810
2-bromo-N-methyl-N-[2-(oxolan-2-yl)ethyl]cyclohexan-1-amine
CID 102637312
N-methyl-N-[2-(oxolan-2-yl)ethyl]-2-piperidin-4-ylethanamine
CID 66272160
1,1,1-trifluoro-N-methyl-5-(oxolan-2-yl)pentan-3-amine
CID 65164288
2-N,2-dimethyl-2-N-[2-(oxolan-2-yl)ethyl]butane-1,2-diamine
CID 65158469

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-2,2,2-trifluoro-N-[2-(oxolan-2-yl)ethyl]ethanamine?
The IUPAC name of N-(2-bromoethyl)-2,2,2-trifluoro-N-[2-(oxolan-2-yl)ethyl]ethanamine (CID 107488561) is N-(2-bromoethyl)-2,2,2-trifluoro-N-[2-(oxolan-2-yl)ethyl]ethanamine.
What is the SMILES notation for N-(2-bromoethyl)-2,2,2-trifluoro-N-[2-(oxolan-2-yl)ethyl]ethanamine?
The canonical SMILES for N-(2-bromoethyl)-2,2,2-trifluoro-N-[2-(oxolan-2-yl)ethyl]ethanamine is FC(F)(F)CN(CCBr)CCC1CCCO1.
What is the InChIKey of N-(2-bromoethyl)-2,2,2-trifluoro-N-[2-(oxolan-2-yl)ethyl]ethanamine?
The InChIKey is HPHDINRFMDEZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrF3NO/c11-4-6-15(8-10(12,13)14)5-3-9-2-1-7-16-9/h9H,1-8H2.
What are the key properties of N-(2-bromoethyl)-2,2,2-trifluoro-N-[2-(oxolan-2-yl)ethyl]ethanamine?
N-(2-bromoethyl)-2,2,2-trifluoro-N-[2-(oxolan-2-yl)ethyl]ethanamine has a molecular weight of 304.15 g/mol, XLogP of 2.81, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-2,2,2-trifluoro-N-[2-(oxolan-2-yl)ethyl]ethanamine is sourced from PubChem (CID 107488561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).