trans-(1S,2S)-1-azido-2-(2,2-difluoroethoxy)cyclopentane

C7H11F2N3O — CID 150559937

IUPACtrans-(1S,2S)-1-azido-2-(2,2-difluoroethoxy)cyclopentane
SMILES[N-]=[N+]=N[C@H]1CCC[C@@H]1OCC(F)F
InChIInChI=1S/C7H11F2N3O/c8-7(9)4-13-6-3-1-2-5(6)11-12-10/h5-7H,1-4H2/t5-,6-/m0/s1
InChIKeyIJQCNELOTTXGCV-WDSKDSINSA-N
MW191.18 g/mol
LogP2.50
Rot. Bonds4

About trans-(1S,2S)-1-azido-2-(2,2-difluoroethoxy)cyclopentane

trans-(1S,2S)-1-azido-2-(2,2-difluoroethoxy)cyclopentane (PubChem CID 150559937) has the molecular formula C7H11F2N3O and a molecular weight of 191.18 g/mol. Its IUPAC name is trans-(1S,2S)-1-azido-2-(2,2-difluoroethoxy)cyclopentane.

Molecular Properties

Compound Nametrans-(1S,2S)-1-azido-2-(2,2-difluoroethoxy)cyclopentane
PubChem CID150559937
Molecular FormulaC7H11F2N3O
Molecular Weight191.18 g/mol
Exact Mass191.09
IUPAC Nametrans-(1S,2S)-1-azido-2-(2,2-difluoroethoxy)cyclopentane
SMILES[N-]=[N+]=N[C@H]1CCC[C@@H]1OCC(F)F
InChIInChI=1S/C7H11F2N3O/c8-7(9)4-13-6-3-1-2-5(6)11-12-10/h5-7H,1-4H2/t5-,6-/m0/s1
InChIKeyIJQCNELOTTXGCV-WDSKDSINSA-N
XLogP2.50
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.18
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-1-azido-2-(2,2-difluoroethoxy)cyclopentane?
The IUPAC name of trans-(1S,2S)-1-azido-2-(2,2-difluoroethoxy)cyclopentane (CID 150559937) is trans-(1S,2S)-1-azido-2-(2,2-difluoroethoxy)cyclopentane.
What is the SMILES notation for trans-(1S,2S)-1-azido-2-(2,2-difluoroethoxy)cyclopentane?
The canonical SMILES for trans-(1S,2S)-1-azido-2-(2,2-difluoroethoxy)cyclopentane is [N-]=[N+]=N[C@H]1CCC[C@@H]1OCC(F)F.
What is the InChIKey of trans-(1S,2S)-1-azido-2-(2,2-difluoroethoxy)cyclopentane?
The InChIKey is IJQCNELOTTXGCV-WDSKDSINSA-N. The full InChI is InChI=1S/C7H11F2N3O/c8-7(9)4-13-6-3-1-2-5(6)11-12-10/h5-7H,1-4H2/t5-,6-/m0/s1.
What are the key properties of trans-(1S,2S)-1-azido-2-(2,2-difluoroethoxy)cyclopentane?
trans-(1S,2S)-1-azido-2-(2,2-difluoroethoxy)cyclopentane has a molecular weight of 191.18 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-1-azido-2-(2,2-difluoroethoxy)cyclopentane is sourced from PubChem (CID 150559937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).