[1-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methanol

C12H20F3NO — CID 62271125

IUPAC[1-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methanol
SMILESOCC1(CN(CC(F)(F)F)C2CC2)CCCC1
InChIInChI=1S/C12H20F3NO/c13-12(14,15)8-16(10-3-4-10)7-11(9-17)5-1-2-6-11/h10,17H,1-9H2
InChIKeyUXAABQKIZGTWOG-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.57
Rot. Bonds5

About [1-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methanol

[1-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methanol (PubChem CID 62271125) has the molecular formula C12H20F3NO and a molecular weight of 251.29 g/mol. Its IUPAC name is [1-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methanol
PubChem CID62271125
Molecular FormulaC12H20F3NO
Molecular Weight251.29 g/mol
Exact Mass251.15
IUPAC Name[1-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methanol
SMILESOCC1(CN(CC(F)(F)F)C2CC2)CCCC1
InChIInChI=1S/C12H20F3NO/c13-12(14,15)8-16(10-3-4-10)7-11(9-17)5-1-2-6-11/h10,17H,1-9H2
InChIKeyUXAABQKIZGTWOG-UHFFFAOYSA-N
XLogP2.57
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methanol?
The IUPAC name of [1-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methanol (CID 62271125) is [1-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methanol.
What is the SMILES notation for [1-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methanol?
The canonical SMILES for [1-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methanol is OCC1(CN(CC(F)(F)F)C2CC2)CCCC1.
What is the InChIKey of [1-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methanol?
The InChIKey is UXAABQKIZGTWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO/c13-12(14,15)8-16(10-3-4-10)7-11(9-17)5-1-2-6-11/h10,17H,1-9H2.
What are the key properties of [1-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methanol?
[1-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methanol has a molecular weight of 251.29 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methanol is sourced from PubChem (CID 62271125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).