3,3-difluoro-1-(methoxymethyl)cyclobutan-1-ol;ethane

C8H16F2O2 — CID 143973779

IUPAC3,3-difluoro-1-(methoxymethyl)cyclobutan-1-ol;ethane
SMILESCC.COCC1(O)CC(F)(F)C1
InChIInChI=1S/C6H10F2O2.C2H6/c1-10-4-5(9)2-6(7,8)3-5;1-2/h9H,2-4H2,1H3;1-2H3
InChIKeyCCMFZDWQHGZCML-UHFFFAOYSA-N
MW182.21 g/mol
LogP1.82
Rot. Bonds2

About 3,3-difluoro-1-(methoxymethyl)cyclobutan-1-ol;ethane

3,3-difluoro-1-(methoxymethyl)cyclobutan-1-ol;ethane (PubChem CID 143973779) has the molecular formula C8H16F2O2 and a molecular weight of 182.21 g/mol. Its IUPAC name is 3,3-difluoro-1-(methoxymethyl)cyclobutan-1-ol;ethane.

Molecular Properties

Compound Name3,3-difluoro-1-(methoxymethyl)cyclobutan-1-ol;ethane
PubChem CID143973779
Molecular FormulaC8H16F2O2
Molecular Weight182.21 g/mol
Exact Mass182.11
IUPAC Name3,3-difluoro-1-(methoxymethyl)cyclobutan-1-ol;ethane
SMILESCC.COCC1(O)CC(F)(F)C1
InChIInChI=1S/C6H10F2O2.C2H6/c1-10-4-5(9)2-6(7,8)3-5;1-2/h9H,2-4H2,1H3;1-2H3
InChIKeyCCMFZDWQHGZCML-UHFFFAOYSA-N
XLogP1.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.21
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-(methoxymethyl)cyclobutan-1-ol;ethane?
The IUPAC name of 3,3-difluoro-1-(methoxymethyl)cyclobutan-1-ol;ethane (CID 143973779) is 3,3-difluoro-1-(methoxymethyl)cyclobutan-1-ol;ethane.
What is the SMILES notation for 3,3-difluoro-1-(methoxymethyl)cyclobutan-1-ol;ethane?
The canonical SMILES for 3,3-difluoro-1-(methoxymethyl)cyclobutan-1-ol;ethane is CC.COCC1(O)CC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-(methoxymethyl)cyclobutan-1-ol;ethane?
The InChIKey is CCMFZDWQHGZCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2O2.C2H6/c1-10-4-5(9)2-6(7,8)3-5;1-2/h9H,2-4H2,1H3;1-2H3.
What are the key properties of 3,3-difluoro-1-(methoxymethyl)cyclobutan-1-ol;ethane?
3,3-difluoro-1-(methoxymethyl)cyclobutan-1-ol;ethane has a molecular weight of 182.21 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-(methoxymethyl)cyclobutan-1-ol;ethane is sourced from PubChem (CID 143973779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).