[1-(2,2,2-trifluoroethoxy)cyclopentyl]methanamine

C8H14F3NO — CID 62111086

IUPAC[1-(2,2,2-trifluoroethoxy)cyclopentyl]methanamine
SMILESNCC1(OCC(F)(F)F)CCCC1
InChIInChI=1S/C8H14F3NO/c9-8(10,11)6-13-7(5-12)3-1-2-4-7/h1-6,12H2
InChIKeyAVZWQOHICGQCLU-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.84
Rot. Bonds3

About [1-(2,2,2-trifluoroethoxy)cyclopentyl]methanamine

[1-(2,2,2-trifluoroethoxy)cyclopentyl]methanamine (PubChem CID 62111086) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is [1-(2,2,2-trifluoroethoxy)cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(2,2,2-trifluoroethoxy)cyclopentyl]methanamine
PubChem CID62111086
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name[1-(2,2,2-trifluoroethoxy)cyclopentyl]methanamine
SMILESNCC1(OCC(F)(F)F)CCCC1
InChIInChI=1S/C8H14F3NO/c9-8(10,11)6-13-7(5-12)3-1-2-4-7/h1-6,12H2
InChIKeyAVZWQOHICGQCLU-UHFFFAOYSA-N
XLogP1.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(2,2,2-trifluoroethoxy)cyclopentyl]methanamine?
The IUPAC name of [1-(2,2,2-trifluoroethoxy)cyclopentyl]methanamine (CID 62111086) is [1-(2,2,2-trifluoroethoxy)cyclopentyl]methanamine.
What is the SMILES notation for [1-(2,2,2-trifluoroethoxy)cyclopentyl]methanamine?
The canonical SMILES for [1-(2,2,2-trifluoroethoxy)cyclopentyl]methanamine is NCC1(OCC(F)(F)F)CCCC1.
What is the InChIKey of [1-(2,2,2-trifluoroethoxy)cyclopentyl]methanamine?
The InChIKey is AVZWQOHICGQCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c9-8(10,11)6-13-7(5-12)3-1-2-4-7/h1-6,12H2.
What are the key properties of [1-(2,2,2-trifluoroethoxy)cyclopentyl]methanamine?
[1-(2,2,2-trifluoroethoxy)cyclopentyl]methanamine has a molecular weight of 197.20 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2,2-trifluoroethoxy)cyclopentyl]methanamine is sourced from PubChem (CID 62111086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).