N-[2-(2-chloroethoxy)ethyl]-3,3,3-trifluoropropan-1-amine

C7H13ClF3NO — CID 65024374

IUPACN-[2-(2-chloroethoxy)ethyl]-3,3,3-trifluoropropan-1-amine
SMILESFC(F)(F)CCNCCOCCCl
InChIInChI=1S/C7H13ClF3NO/c8-2-5-13-6-4-12-3-1-7(9,10)11/h12H,1-6H2
InChIKeyYECCQLUVOUJESI-UHFFFAOYSA-N
MW219.63 g/mol
LogP1.78
Rot. Bonds7

About N-[2-(2-chloroethoxy)ethyl]-3,3,3-trifluoropropan-1-amine

N-[2-(2-chloroethoxy)ethyl]-3,3,3-trifluoropropan-1-amine (PubChem CID 65024374) has the molecular formula C7H13ClF3NO and a molecular weight of 219.63 g/mol. Its IUPAC name is N-[2-(2-chloroethoxy)ethyl]-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound NameN-[2-(2-chloroethoxy)ethyl]-3,3,3-trifluoropropan-1-amine
PubChem CID65024374
Molecular FormulaC7H13ClF3NO
Molecular Weight219.63 g/mol
Exact Mass219.06
IUPAC NameN-[2-(2-chloroethoxy)ethyl]-3,3,3-trifluoropropan-1-amine
SMILESFC(F)(F)CCNCCOCCCl
InChIInChI=1S/C7H13ClF3NO/c8-2-5-13-6-4-12-3-1-7(9,10)11/h12H,1-6H2
InChIKeyYECCQLUVOUJESI-UHFFFAOYSA-N
XLogP1.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.63
LogP ≤ 51.78
H-Bond Donors ≤ 51
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]-3,3,3-trifluoropropan-1-amine?
The IUPAC name of N-[2-(2-chloroethoxy)ethyl]-3,3,3-trifluoropropan-1-amine (CID 65024374) is N-[2-(2-chloroethoxy)ethyl]-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for N-[2-(2-chloroethoxy)ethyl]-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for N-[2-(2-chloroethoxy)ethyl]-3,3,3-trifluoropropan-1-amine is FC(F)(F)CCNCCOCCCl.
What is the InChIKey of N-[2-(2-chloroethoxy)ethyl]-3,3,3-trifluoropropan-1-amine?
The InChIKey is YECCQLUVOUJESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClF3NO/c8-2-5-13-6-4-12-3-1-7(9,10)11/h12H,1-6H2.
What are the key properties of N-[2-(2-chloroethoxy)ethyl]-3,3,3-trifluoropropan-1-amine?
N-[2-(2-chloroethoxy)ethyl]-3,3,3-trifluoropropan-1-amine has a molecular weight of 219.63 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroethoxy)ethyl]-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 65024374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).