3-[(2,2,2-trifluoroethylamino)methyl]cyclopentan-1-ol

C8H14F3NO — CID 106129142

IUPAC3-[(2,2,2-trifluoroethylamino)methyl]cyclopentan-1-ol
SMILESOC1CCC(CNCC(F)(F)F)C1
InChIInChI=1S/C8H14F3NO/c9-8(10,11)5-12-4-6-1-2-7(13)3-6/h6-7,12-13H,1-5H2
InChIKeyWFHDIRIVRORSEF-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.30
Rot. Bonds3

About 3-[(2,2,2-trifluoroethylamino)methyl]cyclopentan-1-ol

3-[(2,2,2-trifluoroethylamino)methyl]cyclopentan-1-ol (PubChem CID 106129142) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 3-[(2,2,2-trifluoroethylamino)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[(2,2,2-trifluoroethylamino)methyl]cyclopentan-1-ol
PubChem CID106129142
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name3-[(2,2,2-trifluoroethylamino)methyl]cyclopentan-1-ol
SMILESOC1CCC(CNCC(F)(F)F)C1
InChIInChI=1S/C8H14F3NO/c9-8(10,11)5-12-4-6-1-2-7(13)3-6/h6-7,12-13H,1-5H2
InChIKeyWFHDIRIVRORSEF-UHFFFAOYSA-N
XLogP1.30
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,2,2-trifluoroethylamino)methyl]cyclopentan-1-ol?
The IUPAC name of 3-[(2,2,2-trifluoroethylamino)methyl]cyclopentan-1-ol (CID 106129142) is 3-[(2,2,2-trifluoroethylamino)methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-[(2,2,2-trifluoroethylamino)methyl]cyclopentan-1-ol?
The canonical SMILES for 3-[(2,2,2-trifluoroethylamino)methyl]cyclopentan-1-ol is OC1CCC(CNCC(F)(F)F)C1.
What is the InChIKey of 3-[(2,2,2-trifluoroethylamino)methyl]cyclopentan-1-ol?
The InChIKey is WFHDIRIVRORSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c9-8(10,11)5-12-4-6-1-2-7(13)3-6/h6-7,12-13H,1-5H2.
What are the key properties of 3-[(2,2,2-trifluoroethylamino)methyl]cyclopentan-1-ol?
3-[(2,2,2-trifluoroethylamino)methyl]cyclopentan-1-ol has a molecular weight of 197.20 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2,2-trifluoroethylamino)methyl]cyclopentan-1-ol is sourced from PubChem (CID 106129142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).