4-(3,3-difluorocyclobutyl)oxybutan-1-ol

C8H14F2O2 — CID 155056285

IUPAC4-(3,3-difluorocyclobutyl)oxybutan-1-ol
SMILESOCCCCOC1CC(F)(F)C1
InChIInChI=1S/C8H14F2O2/c9-8(10)5-7(6-8)12-4-2-1-3-11/h7,11H,1-6H2
InChIKeyLLFZGWZFXSCOSH-UHFFFAOYSA-N
MW180.19 g/mol
LogP1.57
Rot. Bonds5

About 4-(3,3-difluorocyclobutyl)oxybutan-1-ol

4-(3,3-difluorocyclobutyl)oxybutan-1-ol (PubChem CID 155056285) has the molecular formula C8H14F2O2 and a molecular weight of 180.19 g/mol. Its IUPAC name is 4-(3,3-difluorocyclobutyl)oxybutan-1-ol.

Molecular Properties

Compound Name4-(3,3-difluorocyclobutyl)oxybutan-1-ol
PubChem CID155056285
Molecular FormulaC8H14F2O2
Molecular Weight180.19 g/mol
Exact Mass180.10
IUPAC Name4-(3,3-difluorocyclobutyl)oxybutan-1-ol
SMILESOCCCCOC1CC(F)(F)C1
InChIInChI=1S/C8H14F2O2/c9-8(10)5-7(6-8)12-4-2-1-3-11/h7,11H,1-6H2
InChIKeyLLFZGWZFXSCOSH-UHFFFAOYSA-N
XLogP1.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.19
LogP ≤ 51.57
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 4-(3,3-difluorocyclobutyl)oxybutan-1-ol?
The IUPAC name of 4-(3,3-difluorocyclobutyl)oxybutan-1-ol (CID 155056285) is 4-(3,3-difluorocyclobutyl)oxybutan-1-ol.
What is the SMILES notation for 4-(3,3-difluorocyclobutyl)oxybutan-1-ol?
The canonical SMILES for 4-(3,3-difluorocyclobutyl)oxybutan-1-ol is OCCCCOC1CC(F)(F)C1.
What is the InChIKey of 4-(3,3-difluorocyclobutyl)oxybutan-1-ol?
The InChIKey is LLFZGWZFXSCOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2O2/c9-8(10)5-7(6-8)12-4-2-1-3-11/h7,11H,1-6H2.
What are the key properties of 4-(3,3-difluorocyclobutyl)oxybutan-1-ol?
4-(3,3-difluorocyclobutyl)oxybutan-1-ol has a molecular weight of 180.19 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-difluorocyclobutyl)oxybutan-1-ol is sourced from PubChem (CID 155056285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).