1-(difluoromethyl)-3-ethoxycyclobutan-1-ol

C7H12F2O2 — CID 106823329

IUPAC1-(difluoromethyl)-3-ethoxycyclobutan-1-ol
SMILESCCOC1CC(O)(C(F)F)C1
InChIInChI=1S/C7H12F2O2/c1-2-11-5-3-7(10,4-5)6(8)9/h5-6,10H,2-4H2,1H3
InChIKeySTAUMDDWCLVRKG-UHFFFAOYSA-N
MW166.17 g/mol
LogP1.18
Rot. Bonds3

About 1-(difluoromethyl)-3-ethoxycyclobutan-1-ol

1-(difluoromethyl)-3-ethoxycyclobutan-1-ol (PubChem CID 106823329) has the molecular formula C7H12F2O2 and a molecular weight of 166.17 g/mol. Its IUPAC name is 1-(difluoromethyl)-3-ethoxycyclobutan-1-ol.

Molecular Properties

Compound Name1-(difluoromethyl)-3-ethoxycyclobutan-1-ol
PubChem CID106823329
Molecular FormulaC7H12F2O2
Molecular Weight166.17 g/mol
Exact Mass166.08
IUPAC Name1-(difluoromethyl)-3-ethoxycyclobutan-1-ol
SMILESCCOC1CC(O)(C(F)F)C1
InChIInChI=1S/C7H12F2O2/c1-2-11-5-3-7(10,4-5)6(8)9/h5-6,10H,2-4H2,1H3
InChIKeySTAUMDDWCLVRKG-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-ethoxy-1-(2-methylpropyl)cyclobutan-1-ol
CID 106823218
ethyl 2-(3-ethoxy-1-hydroxycyclobutyl)butanoate
CID 106824079
3-ethoxy-1-(3,3,3-trifluoropropyl)cyclobutan-1-ol
CID 106823216
1-(2-aminoethyl)-3-ethoxycyclobutan-1-ol
CID 106824789
2-(3-ethoxy-1-hydroxycyclobutyl)acetaldehyde
CID 106825166
3-ethoxy-1-hexylcyclobutan-1-ol
CID 106823263
4-ethoxy-1-hydroxy-2,2,6,6-tetramethylpiperidine
CID 18371974
ethyl 2-(3-ethoxy-1-hydroxycyclobutyl)-2,2-difluoroacetate
CID 106824086
ethane;2-ethoxy-7-propan-2-yl-7-azaspiro[3.5]nonane
CID 170581774
methyl 2-(1-amino-3-ethoxycyclobutyl)acetate
CID 106824251
2-ethoxy-7-propan-2-ylspiro[3.5]nonane
CID 176983956
3-ethoxy-1-(propan-2-ylamino)cyclobutane-1-carboxylic acid
CID 106822538

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-3-ethoxycyclobutan-1-ol?
The IUPAC name of 1-(difluoromethyl)-3-ethoxycyclobutan-1-ol (CID 106823329) is 1-(difluoromethyl)-3-ethoxycyclobutan-1-ol.
What is the SMILES notation for 1-(difluoromethyl)-3-ethoxycyclobutan-1-ol?
The canonical SMILES for 1-(difluoromethyl)-3-ethoxycyclobutan-1-ol is CCOC1CC(O)(C(F)F)C1.
What is the InChIKey of 1-(difluoromethyl)-3-ethoxycyclobutan-1-ol?
The InChIKey is STAUMDDWCLVRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2O2/c1-2-11-5-3-7(10,4-5)6(8)9/h5-6,10H,2-4H2,1H3.
What are the key properties of 1-(difluoromethyl)-3-ethoxycyclobutan-1-ol?
1-(difluoromethyl)-3-ethoxycyclobutan-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 1-(difluoromethyl)-3-ethoxycyclobutan-1-ol is sourced from PubChem (CID 106823329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).