3,3-difluoro-1-[2-(oxan-4-yl)ethoxy]butan-2-ol

C11H20F2O3 — CID 163727602

IUPAC3,3-difluoro-1-[2-(oxan-4-yl)ethoxy]butan-2-ol
SMILESCC(F)(F)C(O)COCCC1CCOCC1
InChIInChI=1S/C11H20F2O3/c1-11(12,13)10(14)8-16-7-4-9-2-5-15-6-3-9/h9-10,14H,2-8H2,1H3
InChIKeyOGOBMKYWHGDUIF-UHFFFAOYSA-N
MW238.27 g/mol
LogP1.84
Rot. Bonds6

About 3,3-difluoro-1-[2-(oxan-4-yl)ethoxy]butan-2-ol

3,3-difluoro-1-[2-(oxan-4-yl)ethoxy]butan-2-ol (PubChem CID 163727602) has the molecular formula C11H20F2O3 and a molecular weight of 238.27 g/mol. Its IUPAC name is 3,3-difluoro-1-[2-(oxan-4-yl)ethoxy]butan-2-ol.

Molecular Properties

Compound Name3,3-difluoro-1-[2-(oxan-4-yl)ethoxy]butan-2-ol
PubChem CID163727602
Molecular FormulaC11H20F2O3
Molecular Weight238.27 g/mol
Exact Mass238.14
IUPAC Name3,3-difluoro-1-[2-(oxan-4-yl)ethoxy]butan-2-ol
SMILESCC(F)(F)C(O)COCCC1CCOCC1
InChIInChI=1S/C11H20F2O3/c1-11(12,13)10(14)8-16-7-4-9-2-5-15-6-3-9/h9-10,14H,2-8H2,1H3
InChIKeyOGOBMKYWHGDUIF-UHFFFAOYSA-N
XLogP1.84
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Methoxy-2-(oxan-4-yl)ethan-1-ol
CID 118196325
2-Ethoxy-2-(oxan-4-yl)ethan-1-ol
CID 165765006
3-(3-Ethyl-2,2-difluoropentoxy)propane-1,2-diol
CID 88562619
3-Methyl-1-(1,1,2,2-tetrafluoroethoxy)pentan-2-ol
CID 155261850
6,6-Difluoro-4-propan-2-yloxan-3-ol
CID 177300325
3-Methyl-1-(2,2,2-trifluoroethoxy)pentan-2-ol
CID 80448912
3-Methyl-1-(1,1,1-trifluoropropan-2-yloxy)pentan-2-ol
CID 80449097
3-Methyl-1-(2,2,3,3,3-pentafluoropropoxy)pentan-2-ol
CID 80449151
3-Methyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-ol
CID 80449192
1-(2,2-Difluoroethoxy)-3-methylpentan-2-ol
CID 82006813
3-Methyl-1-(4,4,4-trifluorobutoxy)pentan-2-ol
CID 82789671
3-Methyl-1-(3,3,3-trifluoropropoxy)pentan-2-ol
CID 82959236

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-[2-(oxan-4-yl)ethoxy]butan-2-ol?
The IUPAC name of 3,3-difluoro-1-[2-(oxan-4-yl)ethoxy]butan-2-ol (CID 163727602) is 3,3-difluoro-1-[2-(oxan-4-yl)ethoxy]butan-2-ol.
What is the SMILES notation for 3,3-difluoro-1-[2-(oxan-4-yl)ethoxy]butan-2-ol?
The canonical SMILES for 3,3-difluoro-1-[2-(oxan-4-yl)ethoxy]butan-2-ol is CC(F)(F)C(O)COCCC1CCOCC1.
What is the InChIKey of 3,3-difluoro-1-[2-(oxan-4-yl)ethoxy]butan-2-ol?
The InChIKey is OGOBMKYWHGDUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2O3/c1-11(12,13)10(14)8-16-7-4-9-2-5-15-6-3-9/h9-10,14H,2-8H2,1H3.
What are the key properties of 3,3-difluoro-1-[2-(oxan-4-yl)ethoxy]butan-2-ol?
3,3-difluoro-1-[2-(oxan-4-yl)ethoxy]butan-2-ol has a molecular weight of 238.27 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-[2-(oxan-4-yl)ethoxy]butan-2-ol is sourced from PubChem (CID 163727602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).