N-(2-cyclopentylethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine

C12H22F3NO — CID 54962026

IUPACN-(2-cyclopentylethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESFC(F)(F)COCCCNCCC1CCCC1
InChIInChI=1S/C12H22F3NO/c13-12(14,15)10-17-9-3-7-16-8-6-11-4-1-2-5-11/h11,16H,1-10H2
InChIKeyJKKHGNXDVBMPHM-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.13
Rot. Bonds8

About N-(2-cyclopentylethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine

N-(2-cyclopentylethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 54962026) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is N-(2-cyclopentylethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound NameN-(2-cyclopentylethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID54962026
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC NameN-(2-cyclopentylethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESFC(F)(F)COCCCNCCC1CCCC1
InChIInChI=1S/C12H22F3NO/c13-12(14,15)10-17-9-3-7-16-8-6-11-4-1-2-5-11/h11,16H,1-10H2
InChIKeyJKKHGNXDVBMPHM-UHFFFAOYSA-N
XLogP3.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.13
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 N-(2-cyclopentylethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of N-(2-cyclopentylethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine (CID 54962026) is N-(2-cyclopentylethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for N-(2-cyclopentylethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for N-(2-cyclopentylethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine is FC(F)(F)COCCCNCCC1CCCC1.
What is the InChIKey of N-(2-cyclopentylethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is JKKHGNXDVBMPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c13-12(14,15)10-17-9-3-7-16-8-6-11-4-1-2-5-11/h11,16H,1-10H2.
What are the key properties of N-(2-cyclopentylethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
N-(2-cyclopentylethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine has a molecular weight of 253.31 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 54962026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).