3-(2,2-difluoropropoxy)cyclobutan-1-ol

C7H12F2O2 — CID 155895645

IUPAC3-(2,2-difluoropropoxy)cyclobutan-1-ol
SMILESCC(F)(F)COC1CC(O)C1
InChIInChI=1S/C7H12F2O2/c1-7(8,9)4-11-6-2-5(10)3-6/h5-6,10H,2-4H2,1H3
InChIKeyMLPSDKPLPNEUBP-UHFFFAOYSA-N
MW166.17 g/mol
LogP1.18
Rot. Bonds3

About 3-(2,2-difluoropropoxy)cyclobutan-1-ol

3-(2,2-difluoropropoxy)cyclobutan-1-ol (PubChem CID 155895645) has the molecular formula C7H12F2O2 and a molecular weight of 166.17 g/mol. Its IUPAC name is 3-(2,2-difluoropropoxy)cyclobutan-1-ol.

Molecular Properties

Compound Name3-(2,2-difluoropropoxy)cyclobutan-1-ol
PubChem CID155895645
Molecular FormulaC7H12F2O2
Molecular Weight166.17 g/mol
Exact Mass166.08
IUPAC Name3-(2,2-difluoropropoxy)cyclobutan-1-ol
SMILESCC(F)(F)COC1CC(O)C1
InChIInChI=1S/C7H12F2O2/c1-7(8,9)4-11-6-2-5(10)3-6/h5-6,10H,2-4H2,1H3
InChIKeyMLPSDKPLPNEUBP-UHFFFAOYSA-N
XLogP1.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.17
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-propoxycyclobutan-1-ol
CID 66343734
3-(2-methylbutan-2-yloxy)cyclobutan-1-ol
CID 66368556
3-(2-cyclopropylethoxy)cyclobutan-1-ol
CID 106207202
1-(3-aminocyclobutyl)oxy-2-methylpropan-2-ol
CID 106940408
3-(1,1-difluoroethyl)cyclobutan-1-ol
CID 155891385
3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclobutan-1-ol
CID 102723532
1-bromo-3-(2,2,2-trifluoroethoxy)cyclobutane
CID 66345295
1-(2,2-difluoropropoxy)-2,2-difluoropropane
CID 142789331
cis-(1R,3S)-5-[tert-butyl(dimethyl)silyl]oxycyclohexane-1,3-diol
CID 11791488
3-(2,2-dimethylpropyl)cyclobutan-1-ol
CID 66598008
3-(2,2,2-trifluoroethoxy)-8-azabicyclo[3.2.1]octane
CID 130481076
3-(4,4,4-trifluorobutoxy)cyclopentan-1-ol
CID 82789504

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoropropoxy)cyclobutan-1-ol?
The IUPAC name of 3-(2,2-difluoropropoxy)cyclobutan-1-ol (CID 155895645) is 3-(2,2-difluoropropoxy)cyclobutan-1-ol.
What is the SMILES notation for 3-(2,2-difluoropropoxy)cyclobutan-1-ol?
The canonical SMILES for 3-(2,2-difluoropropoxy)cyclobutan-1-ol is CC(F)(F)COC1CC(O)C1.
What is the InChIKey of 3-(2,2-difluoropropoxy)cyclobutan-1-ol?
The InChIKey is MLPSDKPLPNEUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2O2/c1-7(8,9)4-11-6-2-5(10)3-6/h5-6,10H,2-4H2,1H3.
What are the key properties of 3-(2,2-difluoropropoxy)cyclobutan-1-ol?
3-(2,2-difluoropropoxy)cyclobutan-1-ol has a molecular weight of 166.17 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoropropoxy)cyclobutan-1-ol is sourced from PubChem (CID 155895645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).