1-(chloromethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentan-1-amine

C11H19ClF3NO — CID 65025714

IUPAC1-(chloromethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentan-1-amine
SMILESFC(F)(F)COCCCNC1(CCl)CCCC1
InChIInChI=1S/C11H19ClF3NO/c12-8-10(4-1-2-5-10)16-6-3-7-17-9-11(13,14)15/h16H,1-9H2
InChIKeyXYJAHMNTQJGJHC-UHFFFAOYSA-N
MW273.73 g/mol
LogP3.10
Rot. Bonds7

About 1-(chloromethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentan-1-amine

1-(chloromethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentan-1-amine (PubChem CID 65025714) has the molecular formula C11H19ClF3NO and a molecular weight of 273.73 g/mol. Its IUPAC name is 1-(chloromethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-(chloromethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentan-1-amine
PubChem CID65025714
Molecular FormulaC11H19ClF3NO
Molecular Weight273.73 g/mol
Exact Mass273.11
IUPAC Name1-(chloromethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentan-1-amine
SMILESFC(F)(F)COCCCNC1(CCl)CCCC1
InChIInChI=1S/C11H19ClF3NO/c12-8-10(4-1-2-5-10)16-6-3-7-17-9-11(13,14)15/h16H,1-9H2
InChIKeyXYJAHMNTQJGJHC-UHFFFAOYSA-N
XLogP3.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.73
LogP ≤ 53.10
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 1-(chloromethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentan-1-amine?
The IUPAC name of 1-(chloromethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentan-1-amine (CID 65025714) is 1-(chloromethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentan-1-amine.
What is the SMILES notation for 1-(chloromethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentan-1-amine?
The canonical SMILES for 1-(chloromethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentan-1-amine is FC(F)(F)COCCCNC1(CCl)CCCC1.
What is the InChIKey of 1-(chloromethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentan-1-amine?
The InChIKey is XYJAHMNTQJGJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClF3NO/c12-8-10(4-1-2-5-10)16-6-3-7-17-9-11(13,14)15/h16H,1-9H2.
What are the key properties of 1-(chloromethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentan-1-amine?
1-(chloromethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentan-1-amine has a molecular weight of 273.73 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentan-1-amine is sourced from PubChem (CID 65025714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).