3-fluoropentane-1,1-diol

C5H11FO2 — CID 123757289

IUPAC3-fluoropentane-1,1-diol
SMILESCCC(F)CC(O)O
InChIInChI=1S/C5H11FO2/c1-2-4(6)3-5(7)8/h4-5,7-8H,2-3H2,1H3
InChIKeyUPMJNOMRMIHAJB-UHFFFAOYSA-N
MW122.14 g/mol
LogP0.44
Rot. Bonds3

About 3-fluoropentane-1,1-diol

3-fluoropentane-1,1-diol (PubChem CID 123757289) has the molecular formula C5H11FO2 and a molecular weight of 122.14 g/mol. Its IUPAC name is 3-fluoropentane-1,1-diol.

Molecular Properties

Compound Name3-fluoropentane-1,1-diol
PubChem CID123757289
Molecular FormulaC5H11FO2
Molecular Weight122.14 g/mol
Exact Mass122.07
IUPAC Name3-fluoropentane-1,1-diol
SMILESCCC(F)CC(O)O
InChIInChI=1S/C5H11FO2/c1-2-4(6)3-5(7)8/h4-5,7-8H,2-3H2,1H3
InChIKeyUPMJNOMRMIHAJB-UHFFFAOYSA-N
XLogP0.44
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.14
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoropentane-1,1-diol?
The IUPAC name of 3-fluoropentane-1,1-diol (CID 123757289) is 3-fluoropentane-1,1-diol.
What is the SMILES notation for 3-fluoropentane-1,1-diol?
The canonical SMILES for 3-fluoropentane-1,1-diol is CCC(F)CC(O)O.
What is the InChIKey of 3-fluoropentane-1,1-diol?
The InChIKey is UPMJNOMRMIHAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11FO2/c1-2-4(6)3-5(7)8/h4-5,7-8H,2-3H2,1H3.
What are the key properties of 3-fluoropentane-1,1-diol?
3-fluoropentane-1,1-diol has a molecular weight of 122.14 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoropentane-1,1-diol is sourced from PubChem (CID 123757289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).