trans-(1R,2R)-4,4-difluoro-2-[[5-(trifluoromethyl)-2-pyridinyl]methylamino]cyclopentan-1-ol

C12H13F5N2O — CID 168750366

IUPACtrans-(1R,2R)-4,4-difluoro-2-[[5-(trifluoromethyl)-2-pyridinyl]methylamino]cyclopentan-1-ol
SMILESO[C@@H]1CC(F)(F)C[C@H]1NCc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C12H13F5N2O/c13-11(14)3-9(10(20)4-11)19-6-8-2-1-7(5-18-8)12(15,16)17/h1-2,5,9-10,19-20H,3-4,6H2/t9-,10-/m1/s1
InChIKeyZTEVLDGALONBHV-NXEZZACHSA-N
MW296.24 g/mol
LogP2.35
Rot. Bonds3

About trans-(1R,2R)-4,4-difluoro-2-[[5-(trifluoromethyl)-2-pyridinyl]methylamino]cyclopentan-1-ol

trans-(1R,2R)-4,4-difluoro-2-[[5-(trifluoromethyl)-2-pyridinyl]methylamino]cyclopentan-1-ol (PubChem CID 168750366) has the molecular formula C12H13F5N2O and a molecular weight of 296.24 g/mol. Its IUPAC name is trans-(1R,2R)-4,4-difluoro-2-[[5-(trifluoromethyl)-2-pyridinyl]methylamino]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-4,4-difluoro-2-[[5-(trifluoromethyl)-2-pyridinyl]methylamino]cyclopentan-1-ol
PubChem CID168750366
Molecular FormulaC12H13F5N2O
Molecular Weight296.24 g/mol
Exact Mass296.09
IUPAC Nametrans-(1R,2R)-4,4-difluoro-2-[[5-(trifluoromethyl)-2-pyridinyl]methylamino]cyclopentan-1-ol
SMILESO[C@@H]1CC(F)(F)C[C@H]1NCc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C12H13F5N2O/c13-11(14)3-9(10(20)4-11)19-6-8-2-1-7(5-18-8)12(15,16)17/h1-2,5,9-10,19-20H,3-4,6H2/t9-,10-/m1/s1
InChIKeyZTEVLDGALONBHV-NXEZZACHSA-N
XLogP2.35
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.24
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-4,4-difluoro-2-[[5-(trifluoromethyl)-2-pyridinyl]methylamino]cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-4,4-difluoro-2-[[5-(trifluoromethyl)-2-pyridinyl]methylamino]cyclopentan-1-ol (CID 168750366) is trans-(1R,2R)-4,4-difluoro-2-[[5-(trifluoromethyl)-2-pyridinyl]methylamino]cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-4,4-difluoro-2-[[5-(trifluoromethyl)-2-pyridinyl]methylamino]cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-4,4-difluoro-2-[[5-(trifluoromethyl)-2-pyridinyl]methylamino]cyclopentan-1-ol is O[C@@H]1CC(F)(F)C[C@H]1NCc1ccc(C(F)(F)F)cn1.
What is the InChIKey of trans-(1R,2R)-4,4-difluoro-2-[[5-(trifluoromethyl)-2-pyridinyl]methylamino]cyclopentan-1-ol?
The InChIKey is ZTEVLDGALONBHV-NXEZZACHSA-N. The full InChI is InChI=1S/C12H13F5N2O/c13-11(14)3-9(10(20)4-11)19-6-8-2-1-7(5-18-8)12(15,16)17/h1-2,5,9-10,19-20H,3-4,6H2/t9-,10-/m1/s1.
What are the key properties of trans-(1R,2R)-4,4-difluoro-2-[[5-(trifluoromethyl)-2-pyridinyl]methylamino]cyclopentan-1-ol?
trans-(1R,2R)-4,4-difluoro-2-[[5-(trifluoromethyl)-2-pyridinyl]methylamino]cyclopentan-1-ol has a molecular weight of 296.24 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-4,4-difluoro-2-[[5-(trifluoromethyl)-2-pyridinyl]methylamino]cyclopentan-1-ol is sourced from PubChem (CID 168750366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).