N-[2-(2-chloroethoxy)ethyl]-N-(2,2,2-trifluoroethyl)propan-2-amine

C9H17ClF3NO — CID 63665241

IUPACN-[2-(2-chloroethoxy)ethyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
SMILESCC(C)N(CCOCCCl)CC(F)(F)F
InChIInChI=1S/C9H17ClF3NO/c1-8(2)14(7-9(11,12)13)4-6-15-5-3-10/h8H,3-7H2,1-2H3
InChIKeyPWWGVMIRPXFCOZ-UHFFFAOYSA-N
MW247.69 g/mol
LogP2.51
Rot. Bonds7

About N-[2-(2-chloroethoxy)ethyl]-N-(2,2,2-trifluoroethyl)propan-2-amine

N-[2-(2-chloroethoxy)ethyl]-N-(2,2,2-trifluoroethyl)propan-2-amine (PubChem CID 63665241) has the molecular formula C9H17ClF3NO and a molecular weight of 247.69 g/mol. Its IUPAC name is N-[2-(2-chloroethoxy)ethyl]-N-(2,2,2-trifluoroethyl)propan-2-amine.

Molecular Properties

Compound NameN-[2-(2-chloroethoxy)ethyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
PubChem CID63665241
Molecular FormulaC9H17ClF3NO
Molecular Weight247.69 g/mol
Exact Mass247.10
IUPAC NameN-[2-(2-chloroethoxy)ethyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
SMILESCC(C)N(CCOCCCl)CC(F)(F)F
InChIInChI=1S/C9H17ClF3NO/c1-8(2)14(7-9(11,12)13)4-6-15-5-3-10/h8H,3-7H2,1-2H3
InChIKeyPWWGVMIRPXFCOZ-UHFFFAOYSA-N
XLogP2.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.69
LogP ≤ 52.51
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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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroethoxy)ethyl]-N-(2,2,2-trifluoroethyl)propan-2-amine?
The IUPAC name of N-[2-(2-chloroethoxy)ethyl]-N-(2,2,2-trifluoroethyl)propan-2-amine (CID 63665241) is N-[2-(2-chloroethoxy)ethyl]-N-(2,2,2-trifluoroethyl)propan-2-amine.
What is the SMILES notation for N-[2-(2-chloroethoxy)ethyl]-N-(2,2,2-trifluoroethyl)propan-2-amine?
The canonical SMILES for N-[2-(2-chloroethoxy)ethyl]-N-(2,2,2-trifluoroethyl)propan-2-amine is CC(C)N(CCOCCCl)CC(F)(F)F.
What is the InChIKey of N-[2-(2-chloroethoxy)ethyl]-N-(2,2,2-trifluoroethyl)propan-2-amine?
The InChIKey is PWWGVMIRPXFCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17ClF3NO/c1-8(2)14(7-9(11,12)13)4-6-15-5-3-10/h8H,3-7H2,1-2H3.
What are the key properties of N-[2-(2-chloroethoxy)ethyl]-N-(2,2,2-trifluoroethyl)propan-2-amine?
N-[2-(2-chloroethoxy)ethyl]-N-(2,2,2-trifluoroethyl)propan-2-amine has a molecular weight of 247.69 g/mol, XLogP of 2.51, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroethoxy)ethyl]-N-(2,2,2-trifluoroethyl)propan-2-amine is sourced from PubChem (CID 63665241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).