3-(4,4-difluorohexoxy)cyclobutan-1-ol

C10H18F2O2 — CID 134489223

IUPAC3-(4,4-difluorohexoxy)cyclobutan-1-ol
SMILESCCC(F)(F)CCCOC1CC(O)C1
InChIInChI=1S/C10H18F2O2/c1-2-10(11,12)4-3-5-14-9-6-8(13)7-9/h8-9,13H,2-7H2,1H3
InChIKeyGUQIWSLIUCXBHV-UHFFFAOYSA-N
MW208.25 g/mol
LogP2.35
Rot. Bonds6

About 3-(4,4-difluorohexoxy)cyclobutan-1-ol

3-(4,4-difluorohexoxy)cyclobutan-1-ol (PubChem CID 134489223) has the molecular formula C10H18F2O2 and a molecular weight of 208.25 g/mol. Its IUPAC name is 3-(4,4-difluorohexoxy)cyclobutan-1-ol.

Molecular Properties

Compound Name3-(4,4-difluorohexoxy)cyclobutan-1-ol
PubChem CID134489223
Molecular FormulaC10H18F2O2
Molecular Weight208.25 g/mol
Exact Mass208.13
IUPAC Name3-(4,4-difluorohexoxy)cyclobutan-1-ol
SMILESCCC(F)(F)CCCOC1CC(O)C1
InChIInChI=1S/C10H18F2O2/c1-2-10(11,12)4-3-5-14-9-6-8(13)7-9/h8-9,13H,2-7H2,1H3
InChIKeyGUQIWSLIUCXBHV-UHFFFAOYSA-N
XLogP2.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 52.35
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 3-(4,4-difluorohexoxy)cyclobutan-1-ol?
The IUPAC name of 3-(4,4-difluorohexoxy)cyclobutan-1-ol (CID 134489223) is 3-(4,4-difluorohexoxy)cyclobutan-1-ol.
What is the SMILES notation for 3-(4,4-difluorohexoxy)cyclobutan-1-ol?
The canonical SMILES for 3-(4,4-difluorohexoxy)cyclobutan-1-ol is CCC(F)(F)CCCOC1CC(O)C1.
What is the InChIKey of 3-(4,4-difluorohexoxy)cyclobutan-1-ol?
The InChIKey is GUQIWSLIUCXBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2O2/c1-2-10(11,12)4-3-5-14-9-6-8(13)7-9/h8-9,13H,2-7H2,1H3.
What are the key properties of 3-(4,4-difluorohexoxy)cyclobutan-1-ol?
3-(4,4-difluorohexoxy)cyclobutan-1-ol has a molecular weight of 208.25 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-difluorohexoxy)cyclobutan-1-ol is sourced from PubChem (CID 134489223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).