[2-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentyl]methanamine

C11H20F3NO — CID 81010015

IUPAC[2-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentyl]methanamine
SMILESNCC1CCCC1CCCOCC(F)(F)F
InChIInChI=1S/C11H20F3NO/c12-11(13,14)8-16-6-2-5-9-3-1-4-10(9)7-15/h9-10H,1-8,15H2
InChIKeyXSCZNLHWWIPEPP-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.72
Rot. Bonds6

About [2-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentyl]methanamine

[2-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentyl]methanamine (PubChem CID 81010015) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is [2-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentyl]methanamine.

Molecular Properties

Compound Name[2-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentyl]methanamine
PubChem CID81010015
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name[2-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentyl]methanamine
SMILESNCC1CCCC1CCCOCC(F)(F)F
InChIInChI=1S/C11H20F3NO/c12-11(13,14)8-16-6-2-5-9-3-1-4-10(9)7-15/h9-10H,1-8,15H2
InChIKeyXSCZNLHWWIPEPP-UHFFFAOYSA-N
XLogP2.72
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.72
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 [2-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentyl]methanamine?
The IUPAC name of [2-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentyl]methanamine (CID 81010015) is [2-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentyl]methanamine.
What is the SMILES notation for [2-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentyl]methanamine?
The canonical SMILES for [2-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentyl]methanamine is NCC1CCCC1CCCOCC(F)(F)F.
What is the InChIKey of [2-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentyl]methanamine?
The InChIKey is XSCZNLHWWIPEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c12-11(13,14)8-16-6-2-5-9-3-1-4-10(9)7-15/h9-10H,1-8,15H2.
What are the key properties of [2-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentyl]methanamine?
[2-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentyl]methanamine has a molecular weight of 239.28 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentyl]methanamine is sourced from PubChem (CID 81010015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).