3-[2-(methylamino)ethyl]-1-(trifluoromethyl)cyclopentan-1-ol

C9H16F3NO — CID 84734516

IUPAC3-[2-(methylamino)ethyl]-1-(trifluoromethyl)cyclopentan-1-ol
SMILESCNCCC1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C9H16F3NO/c1-13-5-3-7-2-4-8(14,6-7)9(10,11)12/h7,13-14H,2-6H2,1H3
InChIKeySJRGIJCDKCWGGN-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.69
Rot. Bonds3

About 3-[2-(methylamino)ethyl]-1-(trifluoromethyl)cyclopentan-1-ol

3-[2-(methylamino)ethyl]-1-(trifluoromethyl)cyclopentan-1-ol (PubChem CID 84734516) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 3-[2-(methylamino)ethyl]-1-(trifluoromethyl)cyclopentan-1-ol.

Molecular Properties

Compound Name3-[2-(methylamino)ethyl]-1-(trifluoromethyl)cyclopentan-1-ol
PubChem CID84734516
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name3-[2-(methylamino)ethyl]-1-(trifluoromethyl)cyclopentan-1-ol
SMILESCNCCC1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C9H16F3NO/c1-13-5-3-7-2-4-8(14,6-7)9(10,11)12/h7,13-14H,2-6H2,1H3
InChIKeySJRGIJCDKCWGGN-UHFFFAOYSA-N
XLogP1.69
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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 3-[2-(methylamino)ethyl]-1-(trifluoromethyl)cyclopentan-1-ol?
The IUPAC name of 3-[2-(methylamino)ethyl]-1-(trifluoromethyl)cyclopentan-1-ol (CID 84734516) is 3-[2-(methylamino)ethyl]-1-(trifluoromethyl)cyclopentan-1-ol.
What is the SMILES notation for 3-[2-(methylamino)ethyl]-1-(trifluoromethyl)cyclopentan-1-ol?
The canonical SMILES for 3-[2-(methylamino)ethyl]-1-(trifluoromethyl)cyclopentan-1-ol is CNCCC1CCC(O)(C(F)(F)F)C1.
What is the InChIKey of 3-[2-(methylamino)ethyl]-1-(trifluoromethyl)cyclopentan-1-ol?
The InChIKey is SJRGIJCDKCWGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-13-5-3-7-2-4-8(14,6-7)9(10,11)12/h7,13-14H,2-6H2,1H3.
What are the key properties of 3-[2-(methylamino)ethyl]-1-(trifluoromethyl)cyclopentan-1-ol?
3-[2-(methylamino)ethyl]-1-(trifluoromethyl)cyclopentan-1-ol has a molecular weight of 211.23 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(methylamino)ethyl]-1-(trifluoromethyl)cyclopentan-1-ol is sourced from PubChem (CID 84734516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).