2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentan-1-ol

C9H16F3NO — CID 62609554

IUPAC2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentan-1-ol
SMILESCN(CC1CCCC1O)CC(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-13(6-9(10,11)12)5-7-3-2-4-8(7)14/h7-8,14H,2-6H2,1H3
InChIKeyQLBQTAWAHOGGEM-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.64
Rot. Bonds3

About 2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentan-1-ol

2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentan-1-ol (PubChem CID 62609554) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentan-1-ol
PubChem CID62609554
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentan-1-ol
SMILESCN(CC1CCCC1O)CC(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-13(6-9(10,11)12)5-7-3-2-4-8(7)14/h7-8,14H,2-6H2,1H3
InChIKeyQLBQTAWAHOGGEM-UHFFFAOYSA-N
XLogP1.64
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentan-1-ol?
The IUPAC name of 2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentan-1-ol (CID 62609554) is 2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentan-1-ol is CN(CC1CCCC1O)CC(F)(F)F.
What is the InChIKey of 2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentan-1-ol?
The InChIKey is QLBQTAWAHOGGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-13(6-9(10,11)12)5-7-3-2-4-8(7)14/h7-8,14H,2-6H2,1H3.
What are the key properties of 2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentan-1-ol?
2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentan-1-ol has a molecular weight of 211.23 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 62609554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).