3-fluoropentane-1,5-diol

C5H11FO2 — CID 87530294

IUPAC3-fluoropentane-1,5-diol
SMILESOCCC(F)CCO
InChIInChI=1S/C5H11FO2/c6-5(1-3-7)2-4-8/h5,7-8H,1-4H2
InChIKeyKMGODLIFDRVAHW-UHFFFAOYSA-N
MW122.14 g/mol
LogP0.09
Rot. Bonds4

About 3-fluoropentane-1,5-diol

3-fluoropentane-1,5-diol (PubChem CID 87530294) has the molecular formula C5H11FO2 and a molecular weight of 122.14 g/mol. Its IUPAC name is 3-fluoropentane-1,5-diol.

Molecular Properties

Compound Name3-fluoropentane-1,5-diol
PubChem CID87530294
Molecular FormulaC5H11FO2
Molecular Weight122.14 g/mol
Exact Mass122.07
IUPAC Name3-fluoropentane-1,5-diol
SMILESOCCC(F)CCO
InChIInChI=1S/C5H11FO2/c6-5(1-3-7)2-4-8/h5,7-8H,1-4H2
InChIKeyKMGODLIFDRVAHW-UHFFFAOYSA-N
XLogP0.09
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.14
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoropentane-1,5-diol?
The IUPAC name of 3-fluoropentane-1,5-diol (CID 87530294) is 3-fluoropentane-1,5-diol.
What is the SMILES notation for 3-fluoropentane-1,5-diol?
The canonical SMILES for 3-fluoropentane-1,5-diol is OCCC(F)CCO.
What is the InChIKey of 3-fluoropentane-1,5-diol?
The InChIKey is KMGODLIFDRVAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11FO2/c6-5(1-3-7)2-4-8/h5,7-8H,1-4H2.
What are the key properties of 3-fluoropentane-1,5-diol?
3-fluoropentane-1,5-diol has a molecular weight of 122.14 g/mol, XLogP of 0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoropentane-1,5-diol is sourced from PubChem (CID 87530294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).