1-cyclopentyl-2-(3,3,3-trifluoropropoxy)ethanamine

C10H18F3NO — CID 104749713

IUPAC1-cyclopentyl-2-(3,3,3-trifluoropropoxy)ethanamine
SMILESNC(COCCC(F)(F)F)C1CCCC1
InChIInChI=1S/C10H18F3NO/c11-10(12,13)5-6-15-7-9(14)8-3-1-2-4-8/h8-9H,1-7,14H2
InChIKeyDGWMCKRDRKMXJE-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.47
Rot. Bonds5

About 1-cyclopentyl-2-(3,3,3-trifluoropropoxy)ethanamine

1-cyclopentyl-2-(3,3,3-trifluoropropoxy)ethanamine (PubChem CID 104749713) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 1-cyclopentyl-2-(3,3,3-trifluoropropoxy)ethanamine.

Molecular Properties

Compound Name1-cyclopentyl-2-(3,3,3-trifluoropropoxy)ethanamine
PubChem CID104749713
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name1-cyclopentyl-2-(3,3,3-trifluoropropoxy)ethanamine
SMILESNC(COCCC(F)(F)F)C1CCCC1
InChIInChI=1S/C10H18F3NO/c11-10(12,13)5-6-15-7-9(14)8-3-1-2-4-8/h8-9H,1-7,14H2
InChIKeyDGWMCKRDRKMXJE-UHFFFAOYSA-N
XLogP2.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.47
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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Related Compounds

2-[2-(2,2,2-Trifluoroethoxy)ethyl]cyclopentan-1-amine
CID 61490905
2-[3-(2,2,2-Trifluoroethoxy)propyl]cyclopentan-1-amine
CID 61491326
4,4,4-Trifluoro-1-(oxan-4-yl)butan-2-amine
CID 62604263
4-Methyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 63559791
3-[3-(2,2,2-Trifluoroethoxy)propyl]cycloheptan-1-amine
CID 64503206
3-[3-(2,2,2-Trifluoroethoxy)propyl]cyclohexan-1-amine
CID 64505306
3-[3-(2,2,2-Trifluoroethoxy)propyl]cyclopentan-1-amine
CID 64505524
4-Methyl-7-(2,2,2-trifluoroethoxy)heptan-2-amine
CID 64718517
[2-(2,2-Difluoroethoxymethyl)cyclopentyl]methanamine
CID 65915466
[2-(3,3,3-Trifluoropropoxymethyl)cyclopentyl]methanamine
CID 65917461
[2-(2,2,2-Trifluoroethoxymethyl)cyclopentyl]methanamine
CID 65917468
3-(Cyclopentylmethoxy)-4,4,4-trifluorobutan-2-amine
CID 66322799

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(3,3,3-trifluoropropoxy)ethanamine?
The IUPAC name of 1-cyclopentyl-2-(3,3,3-trifluoropropoxy)ethanamine (CID 104749713) is 1-cyclopentyl-2-(3,3,3-trifluoropropoxy)ethanamine.
What is the SMILES notation for 1-cyclopentyl-2-(3,3,3-trifluoropropoxy)ethanamine?
The canonical SMILES for 1-cyclopentyl-2-(3,3,3-trifluoropropoxy)ethanamine is NC(COCCC(F)(F)F)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-(3,3,3-trifluoropropoxy)ethanamine?
The InChIKey is DGWMCKRDRKMXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c11-10(12,13)5-6-15-7-9(14)8-3-1-2-4-8/h8-9H,1-7,14H2.
What are the key properties of 1-cyclopentyl-2-(3,3,3-trifluoropropoxy)ethanamine?
1-cyclopentyl-2-(3,3,3-trifluoropropoxy)ethanamine has a molecular weight of 225.25 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(3,3,3-trifluoropropoxy)ethanamine is sourced from PubChem (CID 104749713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).