N-(2,2,2-trifluoroethoxy)cyclopentanamine

C7H12F3NO — CID 82710999

IUPACN-(2,2,2-trifluoroethoxy)cyclopentanamine
SMILESFC(F)(F)CONC1CCCC1
InChIInChI=1S/C7H12F3NO/c8-7(9,10)5-12-11-6-3-1-2-4-6/h6,11H,1-5H2
InChIKeyQBSXJFUUUPFFFZ-UHFFFAOYSA-N
MW183.17 g/mol
LogP2.01
Rot. Bonds3

About N-(2,2,2-trifluoroethoxy)cyclopentanamine

N-(2,2,2-trifluoroethoxy)cyclopentanamine (PubChem CID 82710999) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethoxy)cyclopentanamine.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethoxy)cyclopentanamine
PubChem CID82710999
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC NameN-(2,2,2-trifluoroethoxy)cyclopentanamine
SMILESFC(F)(F)CONC1CCCC1
InChIInChI=1S/C7H12F3NO/c8-7(9,10)5-12-11-6-3-1-2-4-6/h6,11H,1-5H2
InChIKeyQBSXJFUUUPFFFZ-UHFFFAOYSA-N
XLogP2.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethoxy)cyclopentanamine?
The IUPAC name of N-(2,2,2-trifluoroethoxy)cyclopentanamine (CID 82710999) is N-(2,2,2-trifluoroethoxy)cyclopentanamine.
What is the SMILES notation for N-(2,2,2-trifluoroethoxy)cyclopentanamine?
The canonical SMILES for N-(2,2,2-trifluoroethoxy)cyclopentanamine is FC(F)(F)CONC1CCCC1.
What is the InChIKey of N-(2,2,2-trifluoroethoxy)cyclopentanamine?
The InChIKey is QBSXJFUUUPFFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO/c8-7(9,10)5-12-11-6-3-1-2-4-6/h6,11H,1-5H2.
What are the key properties of N-(2,2,2-trifluoroethoxy)cyclopentanamine?
N-(2,2,2-trifluoroethoxy)cyclopentanamine has a molecular weight of 183.17 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethoxy)cyclopentanamine is sourced from PubChem (CID 82710999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).