N-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]propan-1-amine

C11H20F3NO — CID 62111089

IUPACN-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]propan-1-amine
SMILESCCCNCC1(OCC(F)(F)F)CCCC1
InChIInChI=1S/C11H20F3NO/c1-2-7-15-8-10(5-3-4-6-10)16-9-11(12,13)14/h15H,2-9H2,1H3
InChIKeyADPMVFZBHXKMQD-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.88
Rot. Bonds6

About N-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]propan-1-amine

N-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]propan-1-amine (PubChem CID 62111089) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is N-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]propan-1-amine
PubChem CID62111089
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC NameN-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]propan-1-amine
SMILESCCCNCC1(OCC(F)(F)F)CCCC1
InChIInChI=1S/C11H20F3NO/c1-2-7-15-8-10(5-3-4-6-10)16-9-11(12,13)14/h15H,2-9H2,1H3
InChIKeyADPMVFZBHXKMQD-UHFFFAOYSA-N
XLogP2.88
TPSA21.26 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 ≤ 52.88
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-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]propan-1-amine (CID 62111089) is N-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]propan-1-amine is CCCNCC1(OCC(F)(F)F)CCCC1.
What is the InChIKey of N-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]propan-1-amine?
The InChIKey is ADPMVFZBHXKMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-2-7-15-8-10(5-3-4-6-10)16-9-11(12,13)14/h15H,2-9H2,1H3.
What are the key properties of N-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]propan-1-amine?
N-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]propan-1-amine has a molecular weight of 239.28 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]propan-1-amine is sourced from PubChem (CID 62111089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).