trans-(1S,2R)-1-ethyl-2-(1-fluoroethoxy)cyclopentane

C9H17FO — CID 174341309

IUPACtrans-(1S,2R)-1-ethyl-2-(1-fluoroethoxy)cyclopentane
SMILESCC[C@H]1CCC[C@H]1OC(C)F
InChIInChI=1S/C9H17FO/c1-3-8-5-4-6-9(8)11-7(2)10/h7-9H,3-6H2,1-2H3/t7?,8-,9+/m0/s1
InChIKeyRYALHESKBPJQLA-SXNZSPLWSA-N
MW160.23 g/mol
LogP2.90
Rot. Bonds3

About trans-(1S,2R)-1-ethyl-2-(1-fluoroethoxy)cyclopentane

trans-(1S,2R)-1-ethyl-2-(1-fluoroethoxy)cyclopentane (PubChem CID 174341309) has the molecular formula C9H17FO and a molecular weight of 160.23 g/mol. Its IUPAC name is trans-(1S,2R)-1-ethyl-2-(1-fluoroethoxy)cyclopentane.

Molecular Properties

Compound Nametrans-(1S,2R)-1-ethyl-2-(1-fluoroethoxy)cyclopentane
PubChem CID174341309
Molecular FormulaC9H17FO
Molecular Weight160.23 g/mol
Exact Mass160.13
IUPAC Nametrans-(1S,2R)-1-ethyl-2-(1-fluoroethoxy)cyclopentane
SMILESCC[C@H]1CCC[C@H]1OC(C)F
InChIInChI=1S/C9H17FO/c1-3-8-5-4-6-9(8)11-7(2)10/h7-9H,3-6H2,1-2H3/t7?,8-,9+/m0/s1
InChIKeyRYALHESKBPJQLA-SXNZSPLWSA-N
XLogP2.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.23
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-1-ethyl-2-(1-fluoroethoxy)cyclopentane?
The IUPAC name of trans-(1S,2R)-1-ethyl-2-(1-fluoroethoxy)cyclopentane (CID 174341309) is trans-(1S,2R)-1-ethyl-2-(1-fluoroethoxy)cyclopentane.
What is the SMILES notation for trans-(1S,2R)-1-ethyl-2-(1-fluoroethoxy)cyclopentane?
The canonical SMILES for trans-(1S,2R)-1-ethyl-2-(1-fluoroethoxy)cyclopentane is CC[C@H]1CCC[C@H]1OC(C)F.
What is the InChIKey of trans-(1S,2R)-1-ethyl-2-(1-fluoroethoxy)cyclopentane?
The InChIKey is RYALHESKBPJQLA-SXNZSPLWSA-N. The full InChI is InChI=1S/C9H17FO/c1-3-8-5-4-6-9(8)11-7(2)10/h7-9H,3-6H2,1-2H3/t7?,8-,9+/m0/s1.
What are the key properties of trans-(1S,2R)-1-ethyl-2-(1-fluoroethoxy)cyclopentane?
trans-(1S,2R)-1-ethyl-2-(1-fluoroethoxy)cyclopentane has a molecular weight of 160.23 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-1-ethyl-2-(1-fluoroethoxy)cyclopentane is sourced from PubChem (CID 174341309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).