1-fluoropentane-1,5-diol

C5H11FO2 — CID 87793536

IUPAC1-fluoropentane-1,5-diol
SMILESOCCCCC(O)F
InChIInChI=1S/C5H11FO2/c6-5(8)3-1-2-4-7/h5,7-8H,1-4H2
InChIKeyLAZMBPUQTQSMQR-UHFFFAOYSA-N
MW122.14 g/mol
LogP0.44
Rot. Bonds4

About 1-fluoropentane-1,5-diol

1-fluoropentane-1,5-diol (PubChem CID 87793536) has the molecular formula C5H11FO2 and a molecular weight of 122.14 g/mol. Its IUPAC name is 1-fluoropentane-1,5-diol.

Molecular Properties

Compound Name1-fluoropentane-1,5-diol
PubChem CID87793536
Molecular FormulaC5H11FO2
Molecular Weight122.14 g/mol
Exact Mass122.07
IUPAC Name1-fluoropentane-1,5-diol
SMILESOCCCCC(O)F
InChIInChI=1S/C5H11FO2/c6-5(8)3-1-2-4-7/h5,7-8H,1-4H2
InChIKeyLAZMBPUQTQSMQR-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'}

Analyze 1-fluoropentane-1,5-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-fluoropentane-1,5-diol?
The IUPAC name of 1-fluoropentane-1,5-diol (CID 87793536) is 1-fluoropentane-1,5-diol.
What is the SMILES notation for 1-fluoropentane-1,5-diol?
The canonical SMILES for 1-fluoropentane-1,5-diol is OCCCCC(O)F.
What is the InChIKey of 1-fluoropentane-1,5-diol?
The InChIKey is LAZMBPUQTQSMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11FO2/c6-5(8)3-1-2-4-7/h5,7-8H,1-4H2.
What are the key properties of 1-fluoropentane-1,5-diol?
1-fluoropentane-1,5-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 1-fluoropentane-1,5-diol is sourced from PubChem (CID 87793536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).