2,2-difluoro-5-methoxypentan-1-ol

C6H12F2O2 — CID 14097599

IUPAC2,2-difluoro-5-methoxypentan-1-ol
SMILESCOCCCC(F)(F)CO
InChIInChI=1S/C6H12F2O2/c1-10-4-2-3-6(7,8)5-9/h9H,2-5H2,1H3
InChIKeyAEWBLGLTSZQPIN-UHFFFAOYSA-N
MW154.16 g/mol
LogP1.04
Rot. Bonds5

About 2,2-difluoro-5-methoxypentan-1-ol

2,2-difluoro-5-methoxypentan-1-ol (PubChem CID 14097599) has the molecular formula C6H12F2O2 and a molecular weight of 154.16 g/mol. Its IUPAC name is 2,2-difluoro-5-methoxypentan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-5-methoxypentan-1-ol
PubChem CID14097599
Molecular FormulaC6H12F2O2
Molecular Weight154.16 g/mol
Exact Mass154.08
IUPAC Name2,2-difluoro-5-methoxypentan-1-ol
SMILESCOCCCC(F)(F)CO
InChIInChI=1S/C6H12F2O2/c1-10-4-2-3-6(7,8)5-9/h9H,2-5H2,1H3
InChIKeyAEWBLGLTSZQPIN-UHFFFAOYSA-N
XLogP1.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-5-methoxypentan-1-ol?
The IUPAC name of 2,2-difluoro-5-methoxypentan-1-ol (CID 14097599) is 2,2-difluoro-5-methoxypentan-1-ol.
What is the SMILES notation for 2,2-difluoro-5-methoxypentan-1-ol?
The canonical SMILES for 2,2-difluoro-5-methoxypentan-1-ol is COCCCC(F)(F)CO.
What is the InChIKey of 2,2-difluoro-5-methoxypentan-1-ol?
The InChIKey is AEWBLGLTSZQPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2O2/c1-10-4-2-3-6(7,8)5-9/h9H,2-5H2,1H3.
What are the key properties of 2,2-difluoro-5-methoxypentan-1-ol?
2,2-difluoro-5-methoxypentan-1-ol has a molecular weight of 154.16 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-5-methoxypentan-1-ol is sourced from PubChem (CID 14097599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).