5-fluoropentane-1,1-diol

C5H11FO2 — CID 88520230

IUPAC5-fluoropentane-1,1-diol
SMILESOC(O)CCCCF
InChIInChI=1S/C5H11FO2/c6-4-2-1-3-5(7)8/h5,7-8H,1-4H2
InChIKeyNDDYLEXQUVUGMS-UHFFFAOYSA-N
MW122.14 g/mol
LogP0.44
Rot. Bonds4

About 5-fluoropentane-1,1-diol

5-fluoropentane-1,1-diol (PubChem CID 88520230) has the molecular formula C5H11FO2 and a molecular weight of 122.14 g/mol. Its IUPAC name is 5-fluoropentane-1,1-diol.

Molecular Properties

Compound Name5-fluoropentane-1,1-diol
PubChem CID88520230
Molecular FormulaC5H11FO2
Molecular Weight122.14 g/mol
Exact Mass122.07
IUPAC Name5-fluoropentane-1,1-diol
SMILESOC(O)CCCCF
InChIInChI=1S/C5H11FO2/c6-4-2-1-3-5(7)8/h5,7-8H,1-4H2
InChIKeyNDDYLEXQUVUGMS-UHFFFAOYSA-N
XLogP0.44
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 ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoropentane-1,1-diol?
The IUPAC name of 5-fluoropentane-1,1-diol (CID 88520230) is 5-fluoropentane-1,1-diol.
What is the SMILES notation for 5-fluoropentane-1,1-diol?
The canonical SMILES for 5-fluoropentane-1,1-diol is OC(O)CCCCF.
What is the InChIKey of 5-fluoropentane-1,1-diol?
The InChIKey is NDDYLEXQUVUGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11FO2/c6-4-2-1-3-5(7)8/h5,7-8H,1-4H2.
What are the key properties of 5-fluoropentane-1,1-diol?
5-fluoropentane-1,1-diol has a molecular weight of 122.14 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoropentane-1,1-diol is sourced from PubChem (CID 88520230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).