3-fluoro-3-propan-2-ylcyclopentane-1,2-diol

C8H15FO2 — CID 123699960

IUPAC3-fluoro-3-propan-2-ylcyclopentane-1,2-diol
SMILESCC(C)C1(F)CCC(O)C1O
InChIInChI=1S/C8H15FO2/c1-5(2)8(9)4-3-6(10)7(8)11/h5-7,10-11H,3-4H2,1-2H3
InChIKeyMUGRJHMHXWLLKX-UHFFFAOYSA-N
MW162.20 g/mol
LogP0.87
Rot. Bonds1

About 3-fluoro-3-propan-2-ylcyclopentane-1,2-diol

3-fluoro-3-propan-2-ylcyclopentane-1,2-diol (PubChem CID 123699960) has the molecular formula C8H15FO2 and a molecular weight of 162.20 g/mol. Its IUPAC name is 3-fluoro-3-propan-2-ylcyclopentane-1,2-diol.

Molecular Properties

Compound Name3-fluoro-3-propan-2-ylcyclopentane-1,2-diol
PubChem CID123699960
Molecular FormulaC8H15FO2
Molecular Weight162.20 g/mol
Exact Mass162.11
IUPAC Name3-fluoro-3-propan-2-ylcyclopentane-1,2-diol
SMILESCC(C)C1(F)CCC(O)C1O
InChIInChI=1S/C8H15FO2/c1-5(2)8(9)4-3-6(10)7(8)11/h5-7,10-11H,3-4H2,1-2H3
InChIKeyMUGRJHMHXWLLKX-UHFFFAOYSA-N
XLogP0.87
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-propan-2-ylcyclopentane-1,2-diol?
The IUPAC name of 3-fluoro-3-propan-2-ylcyclopentane-1,2-diol (CID 123699960) is 3-fluoro-3-propan-2-ylcyclopentane-1,2-diol.
What is the SMILES notation for 3-fluoro-3-propan-2-ylcyclopentane-1,2-diol?
The canonical SMILES for 3-fluoro-3-propan-2-ylcyclopentane-1,2-diol is CC(C)C1(F)CCC(O)C1O.
What is the InChIKey of 3-fluoro-3-propan-2-ylcyclopentane-1,2-diol?
The InChIKey is MUGRJHMHXWLLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FO2/c1-5(2)8(9)4-3-6(10)7(8)11/h5-7,10-11H,3-4H2,1-2H3.
What are the key properties of 3-fluoro-3-propan-2-ylcyclopentane-1,2-diol?
3-fluoro-3-propan-2-ylcyclopentane-1,2-diol has a molecular weight of 162.20 g/mol, XLogP of 0.87, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-propan-2-ylcyclopentane-1,2-diol is sourced from PubChem (CID 123699960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).