2-cyclopentyl-2-(2,2,2-trifluoroethylamino)ethanol

C9H16F3NO — CID 62071436

IUPAC2-cyclopentyl-2-(2,2,2-trifluoroethylamino)ethanol
SMILESOCC(NCC(F)(F)F)C1CCCC1
InChIInChI=1S/C9H16F3NO/c10-9(11,12)6-13-8(5-14)7-3-1-2-4-7/h7-8,13-14H,1-6H2
InChIKeyPAQZQCKXTPEGKE-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.69
Rot. Bonds4

About 2-cyclopentyl-2-(2,2,2-trifluoroethylamino)ethanol

2-cyclopentyl-2-(2,2,2-trifluoroethylamino)ethanol (PubChem CID 62071436) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 2-cyclopentyl-2-(2,2,2-trifluoroethylamino)ethanol.

Molecular Properties

Compound Name2-cyclopentyl-2-(2,2,2-trifluoroethylamino)ethanol
PubChem CID62071436
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name2-cyclopentyl-2-(2,2,2-trifluoroethylamino)ethanol
SMILESOCC(NCC(F)(F)F)C1CCCC1
InChIInChI=1S/C9H16F3NO/c10-9(11,12)6-13-8(5-14)7-3-1-2-4-7/h7-8,13-14H,1-6H2
InChIKeyPAQZQCKXTPEGKE-UHFFFAOYSA-N
XLogP1.69
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-(2,2,2-trifluoroethylamino)ethanol?
The IUPAC name of 2-cyclopentyl-2-(2,2,2-trifluoroethylamino)ethanol (CID 62071436) is 2-cyclopentyl-2-(2,2,2-trifluoroethylamino)ethanol.
What is the SMILES notation for 2-cyclopentyl-2-(2,2,2-trifluoroethylamino)ethanol?
The canonical SMILES for 2-cyclopentyl-2-(2,2,2-trifluoroethylamino)ethanol is OCC(NCC(F)(F)F)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-2-(2,2,2-trifluoroethylamino)ethanol?
The InChIKey is PAQZQCKXTPEGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c10-9(11,12)6-13-8(5-14)7-3-1-2-4-7/h7-8,13-14H,1-6H2.
What are the key properties of 2-cyclopentyl-2-(2,2,2-trifluoroethylamino)ethanol?
2-cyclopentyl-2-(2,2,2-trifluoroethylamino)ethanol has a molecular weight of 211.23 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-(2,2,2-trifluoroethylamino)ethanol is sourced from PubChem (CID 62071436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).