N,2-diethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine

C10H20F3NO — CID 62529356

IUPACN,2-diethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
SMILESCCNCC(CC)CCOCC(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-3-9(7-14-4-2)5-6-15-8-10(11,12)13/h9,14H,3-8H2,1-2H3
InChIKeyFDRNRUGVFQTBRH-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.59
Rot. Bonds8

About N,2-diethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine

N,2-diethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine (PubChem CID 62529356) has the molecular formula C10H20F3NO and a molecular weight of 227.27 g/mol. Its IUPAC name is N,2-diethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine.

Molecular Properties

Compound NameN,2-diethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
PubChem CID62529356
Molecular FormulaC10H20F3NO
Molecular Weight227.27 g/mol
Exact Mass227.15
IUPAC NameN,2-diethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
SMILESCCNCC(CC)CCOCC(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-3-9(7-14-4-2)5-6-15-8-10(11,12)13/h9,14H,3-8H2,1-2H3
InChIKeyFDRNRUGVFQTBRH-UHFFFAOYSA-N
XLogP2.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.59
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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Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine?
The IUPAC name of N,2-diethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine (CID 62529356) is N,2-diethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine.
What is the SMILES notation for N,2-diethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine?
The canonical SMILES for N,2-diethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine is CCNCC(CC)CCOCC(F)(F)F.
What is the InChIKey of N,2-diethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine?
The InChIKey is FDRNRUGVFQTBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO/c1-3-9(7-14-4-2)5-6-15-8-10(11,12)13/h9,14H,3-8H2,1-2H3.
What are the key properties of N,2-diethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine?
N,2-diethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine has a molecular weight of 227.27 g/mol, XLogP of 2.59, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine is sourced from PubChem (CID 62529356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).