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

C8H16F3NO — CID 60733357

IUPACN-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine
SMILESCCCCNCCOCC(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-2-3-4-12-5-6-13-7-8(9,10)11/h12H,2-7H2,1H3
InChIKeyWRZKAEAGAIWPJH-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.96
Rot. Bonds7

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

N-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine (PubChem CID 60733357) has the molecular formula C8H16F3NO and a molecular weight of 199.22 g/mol. Its IUPAC name is N-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine.

Molecular Properties

Compound NameN-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine
PubChem CID60733357
Molecular FormulaC8H16F3NO
Molecular Weight199.22 g/mol
Exact Mass199.12
IUPAC NameN-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine
SMILESCCCCNCCOCC(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-2-3-4-12-5-6-13-7-8(9,10)11/h12H,2-7H2,1H3
InChIKeyWRZKAEAGAIWPJH-UHFFFAOYSA-N
XLogP1.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Butyl(2-methoxyethyl)amine
CID 3529507
(2-Methoxyethyl)(3,3,3-trifluoropropyl)amine
CID 59028600
(2-Methoxy-ethyl)-(2,2,2-trifluoro-ethyl)-amine
CID 6504212
N-(2-ethoxyethyl)-2,2,2-trifluoroethanamine
CID 43387971
(2,2-Difluoroethyl)(2-methoxyethyl)amine
CID 47003171
2-(2,2-difluoroethoxy)-N-methylethanamine
CID 58684435
N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 58685072
2,2,2-trifluoro-N-(2-propan-2-yloxyethyl)ethanamine
CID 60690622
N-(2-ethoxyethyl)-2,2-difluoroethanamine
CID 60921493
N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine
CID 61492430
N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 61492431
N-[2-(2,2-difluoroethoxy)ethyl]propan-2-amine
CID 62342201

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine?
The IUPAC name of N-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine (CID 60733357) is N-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine.
What is the SMILES notation for N-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine?
The canonical SMILES for N-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine is CCCCNCCOCC(F)(F)F.
What is the InChIKey of N-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine?
The InChIKey is WRZKAEAGAIWPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO/c1-2-3-4-12-5-6-13-7-8(9,10)11/h12H,2-7H2,1H3.
What are the key properties of N-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine?
N-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine has a molecular weight of 199.22 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine is sourced from PubChem (CID 60733357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).