trans-(1S,2S)-2-(3,3,3-trifluoropropylamino)cyclopentan-1-ol

C8H14F3NO — CID 102733445

IUPACtrans-(1S,2S)-2-(3,3,3-trifluoropropylamino)cyclopentan-1-ol
SMILESO[C@H]1CCC[C@@H]1NCCC(F)(F)F
InChIInChI=1S/C8H14F3NO/c9-8(10,11)4-5-12-6-2-1-3-7(6)13/h6-7,12-13H,1-5H2/t6-,7-/m0/s1
InChIKeyZREBVZBSCIYYID-BQBZGAKWSA-N
MW197.20 g/mol
LogP1.44
Rot. Bonds3

About trans-(1S,2S)-2-(3,3,3-trifluoropropylamino)cyclopentan-1-ol

trans-(1S,2S)-2-(3,3,3-trifluoropropylamino)cyclopentan-1-ol (PubChem CID 102733445) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is trans-(1S,2S)-2-(3,3,3-trifluoropropylamino)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(3,3,3-trifluoropropylamino)cyclopentan-1-ol
PubChem CID102733445
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Nametrans-(1S,2S)-2-(3,3,3-trifluoropropylamino)cyclopentan-1-ol
SMILESO[C@H]1CCC[C@@H]1NCCC(F)(F)F
InChIInChI=1S/C8H14F3NO/c9-8(10,11)4-5-12-6-2-1-3-7(6)13/h6-7,12-13H,1-5H2/t6-,7-/m0/s1
InChIKeyZREBVZBSCIYYID-BQBZGAKWSA-N
XLogP1.44
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 ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze trans-(1S,2S)-2-(3,3,3-trifluoropropylamino)cyclopentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(3,3,3-trifluoropropylamino)cyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(3,3,3-trifluoropropylamino)cyclopentan-1-ol (CID 102733445) is trans-(1S,2S)-2-(3,3,3-trifluoropropylamino)cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(3,3,3-trifluoropropylamino)cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(3,3,3-trifluoropropylamino)cyclopentan-1-ol is O[C@H]1CCC[C@@H]1NCCC(F)(F)F.
What is the InChIKey of trans-(1S,2S)-2-(3,3,3-trifluoropropylamino)cyclopentan-1-ol?
The InChIKey is ZREBVZBSCIYYID-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H14F3NO/c9-8(10,11)4-5-12-6-2-1-3-7(6)13/h6-7,12-13H,1-5H2/t6-,7-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(3,3,3-trifluoropropylamino)cyclopentan-1-ol?
trans-(1S,2S)-2-(3,3,3-trifluoropropylamino)cyclopentan-1-ol has a molecular weight of 197.20 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(3,3,3-trifluoropropylamino)cyclopentan-1-ol is sourced from PubChem (CID 102733445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).