trans-(1S,2S)-1-ethoxy-2-fluorocyclopentane

C7H13FO — CID 170127022

IUPACtrans-(1S,2S)-1-ethoxy-2-fluorocyclopentane
SMILESCCO[C@H]1CCC[C@@H]1F
InChIInChI=1S/C7H13FO/c1-2-9-7-5-3-4-6(7)8/h6-7H,2-5H2,1H3/t6-,7-/m0/s1
InChIKeyXECMVUAZJDYKCJ-BQBZGAKWSA-N
MW132.18 g/mol
LogP1.91
Rot. Bonds2

About trans-(1S,2S)-1-ethoxy-2-fluorocyclopentane

trans-(1S,2S)-1-ethoxy-2-fluorocyclopentane (PubChem CID 170127022) has the molecular formula C7H13FO and a molecular weight of 132.18 g/mol. Its IUPAC name is trans-(1S,2S)-1-ethoxy-2-fluorocyclopentane.

Molecular Properties

Compound Nametrans-(1S,2S)-1-ethoxy-2-fluorocyclopentane
PubChem CID170127022
Molecular FormulaC7H13FO
Molecular Weight132.18 g/mol
Exact Mass132.10
IUPAC Nametrans-(1S,2S)-1-ethoxy-2-fluorocyclopentane
SMILESCCO[C@H]1CCC[C@@H]1F
InChIInChI=1S/C7H13FO/c1-2-9-7-5-3-4-6(7)8/h6-7H,2-5H2,1H3/t6-,7-/m0/s1
InChIKeyXECMVUAZJDYKCJ-BQBZGAKWSA-N
XLogP1.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze trans-(1S,2S)-1-ethoxy-2-fluorocyclopentane 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)-1-ethoxy-2-fluorocyclopentane?
The IUPAC name of trans-(1S,2S)-1-ethoxy-2-fluorocyclopentane (CID 170127022) is trans-(1S,2S)-1-ethoxy-2-fluorocyclopentane.
What is the SMILES notation for trans-(1S,2S)-1-ethoxy-2-fluorocyclopentane?
The canonical SMILES for trans-(1S,2S)-1-ethoxy-2-fluorocyclopentane is CCO[C@H]1CCC[C@@H]1F.
What is the InChIKey of trans-(1S,2S)-1-ethoxy-2-fluorocyclopentane?
The InChIKey is XECMVUAZJDYKCJ-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H13FO/c1-2-9-7-5-3-4-6(7)8/h6-7H,2-5H2,1H3/t6-,7-/m0/s1.
What are the key properties of trans-(1S,2S)-1-ethoxy-2-fluorocyclopentane?
trans-(1S,2S)-1-ethoxy-2-fluorocyclopentane has a molecular weight of 132.18 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-1-ethoxy-2-fluorocyclopentane is sourced from PubChem (CID 170127022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).