N-(2-bromoethyl)-N-ethyl-4,4,4-trifluorobutan-1-amine

C8H15BrF3N — CID 115518473

IUPACN-(2-bromoethyl)-N-ethyl-4,4,4-trifluorobutan-1-amine
SMILESCCN(CCBr)CCCC(F)(F)F
InChIInChI=1S/C8H15BrF3N/c1-2-13(7-5-9)6-3-4-8(10,11)12/h2-7H2,1H3
InChIKeyICVIRKDGGKLDSG-UHFFFAOYSA-N
MW262.11 g/mol
LogP3.05
Rot. Bonds6

About N-(2-bromoethyl)-N-ethyl-4,4,4-trifluorobutan-1-amine

N-(2-bromoethyl)-N-ethyl-4,4,4-trifluorobutan-1-amine (PubChem CID 115518473) has the molecular formula C8H15BrF3N and a molecular weight of 262.11 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-ethyl-4,4,4-trifluorobutan-1-amine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-ethyl-4,4,4-trifluorobutan-1-amine
PubChem CID115518473
Molecular FormulaC8H15BrF3N
Molecular Weight262.11 g/mol
Exact Mass261.03
IUPAC NameN-(2-bromoethyl)-N-ethyl-4,4,4-trifluorobutan-1-amine
SMILESCCN(CCBr)CCCC(F)(F)F
InChIInChI=1S/C8H15BrF3N/c1-2-13(7-5-9)6-3-4-8(10,11)12/h2-7H2,1H3
InChIKeyICVIRKDGGKLDSG-UHFFFAOYSA-N
XLogP3.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.11
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-N-ethyl-4,4,4-trifluorobutan-1-amine
CID 115518358
N-(2-bromoethyl)-4,4,4-trifluoro-N-(2,2,2-trifluoroethyl)butan-1-amine
CID 107488246
N-(2-bromoethyl)-4,4,4-trifluoro-N-propan-2-ylbutan-1-amine
CID 115518451
ethane;4,4,4-trifluoro-N,N-dimethylbutan-1-amine
CID 166092761
N-(2-bromoethyl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide
CID 83058541
1-(diethylamino)-7,7,7-trifluoroheptan-3-one
CID 115515964
N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)octan-1-amine
CID 107488181
2-[ethyl(3,3,3-trifluoropropyl)amino]ethanol
CID 60685882
N'-(3-bromopropyl)-N,N,N'-triethylethane-1,2-diamine
CID 107913911
N-(2-bromoethyl)-3-ethoxy-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 107488389
5-bromo-1,1,1-trifluoropentane chloride
CID 158477486
1-(diethylamino)-6,6,6-trifluorohexan-3-one
CID 79077397

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-ethyl-4,4,4-trifluorobutan-1-amine?
The IUPAC name of N-(2-bromoethyl)-N-ethyl-4,4,4-trifluorobutan-1-amine (CID 115518473) is N-(2-bromoethyl)-N-ethyl-4,4,4-trifluorobutan-1-amine.
What is the SMILES notation for N-(2-bromoethyl)-N-ethyl-4,4,4-trifluorobutan-1-amine?
The canonical SMILES for N-(2-bromoethyl)-N-ethyl-4,4,4-trifluorobutan-1-amine is CCN(CCBr)CCCC(F)(F)F.
What is the InChIKey of N-(2-bromoethyl)-N-ethyl-4,4,4-trifluorobutan-1-amine?
The InChIKey is ICVIRKDGGKLDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15BrF3N/c1-2-13(7-5-9)6-3-4-8(10,11)12/h2-7H2,1H3.
What are the key properties of N-(2-bromoethyl)-N-ethyl-4,4,4-trifluorobutan-1-amine?
N-(2-bromoethyl)-N-ethyl-4,4,4-trifluorobutan-1-amine has a molecular weight of 262.11 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-ethyl-4,4,4-trifluorobutan-1-amine is sourced from PubChem (CID 115518473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).