N,3-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine

C10H20F3NO — CID 62529738

IUPACN,3-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine
SMILESCNCC(CCOCC(F)(F)F)C(C)C
InChIInChI=1S/C10H20F3NO/c1-8(2)9(6-14-3)4-5-15-7-10(11,12)13/h8-9,14H,4-7H2,1-3H3
InChIKeyBOCVXMUBGBLAHT-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.45
Rot. Bonds7

About N,3-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine

N,3-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine (PubChem CID 62529738) has the molecular formula C10H20F3NO and a molecular weight of 227.27 g/mol. Its IUPAC name is N,3-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine
PubChem CID62529738
Molecular FormulaC10H20F3NO
Molecular Weight227.27 g/mol
Exact Mass227.15
IUPAC NameN,3-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine
SMILESCNCC(CCOCC(F)(F)F)C(C)C
InChIInChI=1S/C10H20F3NO/c1-8(2)9(6-14-3)4-5-15-7-10(11,12)13/h8-9,14H,4-7H2,1-3H3
InChIKeyBOCVXMUBGBLAHT-UHFFFAOYSA-N
XLogP2.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.45
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,3-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine?
The IUPAC name of N,3-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine (CID 62529738) is N,3-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine.
What is the SMILES notation for N,3-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine?
The canonical SMILES for N,3-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine is CNCC(CCOCC(F)(F)F)C(C)C.
What is the InChIKey of N,3-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine?
The InChIKey is BOCVXMUBGBLAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO/c1-8(2)9(6-14-3)4-5-15-7-10(11,12)13/h8-9,14H,4-7H2,1-3H3.
What are the key properties of N,3-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine?
N,3-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine has a molecular weight of 227.27 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine is sourced from PubChem (CID 62529738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).