N-(2-bromoethyl)-2,2,2-trifluoro-N-(oxolan-2-ylmethyl)ethanamine

C9H15BrF3NO — CID 107488189

IUPACN-(2-bromoethyl)-2,2,2-trifluoro-N-(oxolan-2-ylmethyl)ethanamine
SMILESFC(F)(F)CN(CCBr)CC1CCCO1
InChIInChI=1S/C9H15BrF3NO/c10-3-4-14(7-9(11,12)13)6-8-2-1-5-15-8/h8H,1-7H2
InChIKeyFVKQXVSULCEWBQ-UHFFFAOYSA-N
MW290.12 g/mol
LogP2.42
Rot. Bonds5

About N-(2-bromoethyl)-2,2,2-trifluoro-N-(oxolan-2-ylmethyl)ethanamine

N-(2-bromoethyl)-2,2,2-trifluoro-N-(oxolan-2-ylmethyl)ethanamine (PubChem CID 107488189) has the molecular formula C9H15BrF3NO and a molecular weight of 290.12 g/mol. Its IUPAC name is N-(2-bromoethyl)-2,2,2-trifluoro-N-(oxolan-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-(2-bromoethyl)-2,2,2-trifluoro-N-(oxolan-2-ylmethyl)ethanamine
PubChem CID107488189
Molecular FormulaC9H15BrF3NO
Molecular Weight290.12 g/mol
Exact Mass289.03
IUPAC NameN-(2-bromoethyl)-2,2,2-trifluoro-N-(oxolan-2-ylmethyl)ethanamine
SMILESFC(F)(F)CN(CCBr)CC1CCCO1
InChIInChI=1S/C9H15BrF3NO/c10-3-4-14(7-9(11,12)13)6-8-2-1-5-15-8/h8H,1-7H2
InChIKeyFVKQXVSULCEWBQ-UHFFFAOYSA-N
XLogP2.42
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.12
LogP ≤ 52.42
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-[difluoro(oxolan-2-yl)methyl]-N-ethylethanamine
CID 140159611
1-[(2S,5R)-4,4-difluoro-5-methyloxolan-2-yl]-N,N-dimethylmethanamine
CID 10559253
1-[(2S,5S)-4,4-difluoro-5-methyloxolan-2-yl]-N,N-dimethylmethanamine
CID 10702491
1-[(2R,5R)-4,4-difluoro-5-methyloxolan-2-yl]-N,N-dimethylmethanamine
CID 10702492
1-[(2R,5S)-4,4-difluoro-5-methyloxolan-2-yl]-N,N-dimethylmethanamine
CID 10845072
2-bromo-3,3,3-trifluoro-N-methyl-N-(oxolan-2-ylmethyl)propan-1-amine
CID 64756946
2-bromo-N-ethyl-3,3,3-trifluoro-N-(oxolan-2-ylmethyl)propan-1-amine
CID 64758357
3-(2-Bromo-3,3,3-trifluoropropyl)-8-oxa-3-azabicyclo[3.2.1]octane
CID 66369971
2-((2-Bromoethoxy)methyl)-1-(trifluoromethyl)pyrrolidine
CID 71648851
(2R)-2-(2-bromoethoxymethyl)-1-(trifluoromethyl)pyrrolidine
CID 97168600
(2S)-2-(2-bromoethoxymethyl)-1-(trifluoromethyl)pyrrolidine
CID 97168601
N-(2-bromoethyl)-2,2-difluoro-N-(oxolan-2-ylmethyl)ethanamine
CID 107487371

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-2,2,2-trifluoro-N-(oxolan-2-ylmethyl)ethanamine?
The IUPAC name of N-(2-bromoethyl)-2,2,2-trifluoro-N-(oxolan-2-ylmethyl)ethanamine (CID 107488189) is N-(2-bromoethyl)-2,2,2-trifluoro-N-(oxolan-2-ylmethyl)ethanamine.
What is the SMILES notation for N-(2-bromoethyl)-2,2,2-trifluoro-N-(oxolan-2-ylmethyl)ethanamine?
The canonical SMILES for N-(2-bromoethyl)-2,2,2-trifluoro-N-(oxolan-2-ylmethyl)ethanamine is FC(F)(F)CN(CCBr)CC1CCCO1.
What is the InChIKey of N-(2-bromoethyl)-2,2,2-trifluoro-N-(oxolan-2-ylmethyl)ethanamine?
The InChIKey is FVKQXVSULCEWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrF3NO/c10-3-4-14(7-9(11,12)13)6-8-2-1-5-15-8/h8H,1-7H2.
What are the key properties of N-(2-bromoethyl)-2,2,2-trifluoro-N-(oxolan-2-ylmethyl)ethanamine?
N-(2-bromoethyl)-2,2,2-trifluoro-N-(oxolan-2-ylmethyl)ethanamine has a molecular weight of 290.12 g/mol, XLogP of 2.42, 5 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-(oxolan-2-ylmethyl)ethanamine is sourced from PubChem (CID 107488189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).