3-(1,1-difluoroethyl)-5-ethylcyclopentane-1,2-diol

C9H16F2O2 — CID 123656436

IUPAC3-(1,1-difluoroethyl)-5-ethylcyclopentane-1,2-diol
SMILESCCC1CC(C(C)(F)F)C(O)C1O
InChIInChI=1S/C9H16F2O2/c1-3-5-4-6(9(2,10)11)8(13)7(5)12/h5-8,12-13H,3-4H2,1-2H3
InChIKeyUVCIZCSHYAULMG-UHFFFAOYSA-N
MW194.22 g/mol
LogP1.41
Rot. Bonds2

About 3-(1,1-difluoroethyl)-5-ethylcyclopentane-1,2-diol

3-(1,1-difluoroethyl)-5-ethylcyclopentane-1,2-diol (PubChem CID 123656436) has the molecular formula C9H16F2O2 and a molecular weight of 194.22 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-5-ethylcyclopentane-1,2-diol.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-5-ethylcyclopentane-1,2-diol
PubChem CID123656436
Molecular FormulaC9H16F2O2
Molecular Weight194.22 g/mol
Exact Mass194.11
IUPAC Name3-(1,1-difluoroethyl)-5-ethylcyclopentane-1,2-diol
SMILESCCC1CC(C(C)(F)F)C(O)C1O
InChIInChI=1S/C9H16F2O2/c1-3-5-4-6(9(2,10)11)8(13)7(5)12/h5-8,12-13H,3-4H2,1-2H3
InChIKeyUVCIZCSHYAULMG-UHFFFAOYSA-N
XLogP1.41
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)-5-ethylcyclopentane-1,2-diol?
The IUPAC name of 3-(1,1-difluoroethyl)-5-ethylcyclopentane-1,2-diol (CID 123656436) is 3-(1,1-difluoroethyl)-5-ethylcyclopentane-1,2-diol.
What is the SMILES notation for 3-(1,1-difluoroethyl)-5-ethylcyclopentane-1,2-diol?
The canonical SMILES for 3-(1,1-difluoroethyl)-5-ethylcyclopentane-1,2-diol is CCC1CC(C(C)(F)F)C(O)C1O.
What is the InChIKey of 3-(1,1-difluoroethyl)-5-ethylcyclopentane-1,2-diol?
The InChIKey is UVCIZCSHYAULMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2O2/c1-3-5-4-6(9(2,10)11)8(13)7(5)12/h5-8,12-13H,3-4H2,1-2H3.
What are the key properties of 3-(1,1-difluoroethyl)-5-ethylcyclopentane-1,2-diol?
3-(1,1-difluoroethyl)-5-ethylcyclopentane-1,2-diol has a molecular weight of 194.22 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethyl)-5-ethylcyclopentane-1,2-diol is sourced from PubChem (CID 123656436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).