N-(2-bromoethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine

C10H19BrF3NO — CID 80673197

IUPACN-(2-bromoethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine
SMILESCCCCN(CCBr)CCOCC(F)(F)F
InChIInChI=1S/C10H19BrF3NO/c1-2-3-5-15(6-4-11)7-8-16-9-10(12,13)14/h2-9H2,1H3
InChIKeyXZQLACJTNCPSTN-UHFFFAOYSA-N
MW306.17 g/mol
LogP3.06
Rot. Bonds9

About N-(2-bromoethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine

N-(2-bromoethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine (PubChem CID 80673197) has the molecular formula C10H19BrF3NO and a molecular weight of 306.17 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine
PubChem CID80673197
Molecular FormulaC10H19BrF3NO
Molecular Weight306.17 g/mol
Exact Mass305.06
IUPAC NameN-(2-bromoethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine
SMILESCCCCN(CCBr)CCOCC(F)(F)F
InChIInChI=1S/C10H19BrF3NO/c1-2-3-5-15(6-4-11)7-8-16-9-10(12,13)14/h2-9H2,1H3
InChIKeyXZQLACJTNCPSTN-UHFFFAOYSA-N
XLogP3.06
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.17
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-(2,2,2-trifluoroethoxy)butane
CID 170752039
N-butyl-N-[2-[2-(diethylamino)ethoxy]ethyl]butan-1-amine
CID 19822695
N-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]-N-undecylundecan-1-amine
CID 59383801
N'-ethyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine
CID 61492236
N,N-bis(2-ethoxyethyl)butan-1-amine
CID 91213413
N-(2-bromoethyl)-N-propylbutan-1-amine
CID 80672792
N-butyl-N-(2-hexoxyethyl)butan-1-amine;hydrochloride
CID 131884842
N-(2-bromoethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]pentan-3-amine
CID 80691150
2-[2-[2-[2-[butyl-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]ethanol
CID 134252023
N,N-bis[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]butan-1-amine
CID 134252027
N-(3-butoxypropyl)-N-butylbutan-1-amine
CID 152720768
N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)octan-1-amine
CID 107488181

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine?
The IUPAC name of N-(2-bromoethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine (CID 80673197) is N-(2-bromoethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine.
What is the SMILES notation for N-(2-bromoethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine?
The canonical SMILES for N-(2-bromoethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine is CCCCN(CCBr)CCOCC(F)(F)F.
What is the InChIKey of N-(2-bromoethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine?
The InChIKey is XZQLACJTNCPSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrF3NO/c1-2-3-5-15(6-4-11)7-8-16-9-10(12,13)14/h2-9H2,1H3.
What are the key properties of N-(2-bromoethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine?
N-(2-bromoethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine has a molecular weight of 306.17 g/mol, XLogP of 3.06, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine is sourced from PubChem (CID 80673197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).