3-ethyl-3-(ethylaminomethyl)-1-(trifluoromethyl)cyclopentan-1-ol

C11H20F3NO — CID 83960326

IUPAC3-ethyl-3-(ethylaminomethyl)-1-(trifluoromethyl)cyclopentan-1-ol
SMILESCCNCC1(CC)CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C11H20F3NO/c1-3-9(8-15-4-2)5-6-10(16,7-9)11(12,13)14/h15-16H,3-8H2,1-2H3
InChIKeyWXZPTLPBFJCKJN-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.47
Rot. Bonds4

About 3-ethyl-3-(ethylaminomethyl)-1-(trifluoromethyl)cyclopentan-1-ol

3-ethyl-3-(ethylaminomethyl)-1-(trifluoromethyl)cyclopentan-1-ol (PubChem CID 83960326) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 3-ethyl-3-(ethylaminomethyl)-1-(trifluoromethyl)cyclopentan-1-ol.

Molecular Properties

Compound Name3-ethyl-3-(ethylaminomethyl)-1-(trifluoromethyl)cyclopentan-1-ol
PubChem CID83960326
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name3-ethyl-3-(ethylaminomethyl)-1-(trifluoromethyl)cyclopentan-1-ol
SMILESCCNCC1(CC)CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C11H20F3NO/c1-3-9(8-15-4-2)5-6-10(16,7-9)11(12,13)14/h15-16H,3-8H2,1-2H3
InChIKeyWXZPTLPBFJCKJN-UHFFFAOYSA-N
XLogP2.47
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-(ethylaminomethyl)-1-(trifluoromethyl)cyclopentan-1-ol?
The IUPAC name of 3-ethyl-3-(ethylaminomethyl)-1-(trifluoromethyl)cyclopentan-1-ol (CID 83960326) is 3-ethyl-3-(ethylaminomethyl)-1-(trifluoromethyl)cyclopentan-1-ol.
What is the SMILES notation for 3-ethyl-3-(ethylaminomethyl)-1-(trifluoromethyl)cyclopentan-1-ol?
The canonical SMILES for 3-ethyl-3-(ethylaminomethyl)-1-(trifluoromethyl)cyclopentan-1-ol is CCNCC1(CC)CCC(O)(C(F)(F)F)C1.
What is the InChIKey of 3-ethyl-3-(ethylaminomethyl)-1-(trifluoromethyl)cyclopentan-1-ol?
The InChIKey is WXZPTLPBFJCKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-3-9(8-15-4-2)5-6-10(16,7-9)11(12,13)14/h15-16H,3-8H2,1-2H3.
What are the key properties of 3-ethyl-3-(ethylaminomethyl)-1-(trifluoromethyl)cyclopentan-1-ol?
3-ethyl-3-(ethylaminomethyl)-1-(trifluoromethyl)cyclopentan-1-ol has a molecular weight of 239.28 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-(ethylaminomethyl)-1-(trifluoromethyl)cyclopentan-1-ol is sourced from PubChem (CID 83960326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).