3-(1,1-difluoroethyl)cyclobutan-1-ol

C6H10F2O — CID 155891385

IUPAC3-(1,1-difluoroethyl)cyclobutan-1-ol
SMILESCC(F)(F)C1CC(O)C1
InChIInChI=1S/C6H10F2O/c1-6(7,8)4-2-5(9)3-4/h4-5,9H,2-3H2,1H3
InChIKeyZBSUNJGINKARSU-UHFFFAOYSA-N
MW136.14 g/mol
LogP1.41
Rot. Bonds1

About 3-(1,1-difluoroethyl)cyclobutan-1-ol

3-(1,1-difluoroethyl)cyclobutan-1-ol (PubChem CID 155891385) has the molecular formula C6H10F2O and a molecular weight of 136.14 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)cyclobutan-1-ol.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)cyclobutan-1-ol
PubChem CID155891385
Molecular FormulaC6H10F2O
Molecular Weight136.14 g/mol
Exact Mass136.07
IUPAC Name3-(1,1-difluoroethyl)cyclobutan-1-ol
SMILESCC(F)(F)C1CC(O)C1
InChIInChI=1S/C6H10F2O/c1-6(7,8)4-2-5(9)3-4/h4-5,9H,2-3H2,1H3
InChIKeyZBSUNJGINKARSU-UHFFFAOYSA-N
XLogP1.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.14
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cis-(1S,3R)-5-(trifluoromethyl)cyclohexane-1,3-diol
CID 99986355
cis-(3R,5S)-3,5-bis(2-hydroxypropan-2-yl)cyclohexan-1-ol
CID 121423126
1-(1,1-difluoroethyl)-3-prop-1-enylcyclobutane
CID 123925830
3-(2,2-difluoropropoxy)cyclobutan-1-ol
CID 155895645
cyclobutane-1,3-diol
CID 175518786
methyl (1S,3S,5R)-3-hydroxy-5-(trifluoromethyl)cyclohexane-1-carboxylate
CID 124744890
methyl 3-hydroxy-5-(trifluoromethyl)cyclohexane-1-carboxylate
CID 112757544
(1R,3R,5S)-3-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)cyclohexan-1-ol
CID 142150919
tert-butyl N-[(1R,3S,5S)-3-hydroxy-5-(trifluoromethyl)cyclohexyl]carbamate
CID 129413231
3-(2,2-dimethylpropyl)cyclobutan-1-ol
CID 66598008
(3S,5R)-3-(1,1-difluoroethyl)-1-methyl-5-(trifluoromethyl)piperidine
CID 159797513
1-deuterio-3-(1,1-difluoroethyl)azetidine
CID 175945377

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)cyclobutan-1-ol?
The IUPAC name of 3-(1,1-difluoroethyl)cyclobutan-1-ol (CID 155891385) is 3-(1,1-difluoroethyl)cyclobutan-1-ol.
What is the SMILES notation for 3-(1,1-difluoroethyl)cyclobutan-1-ol?
The canonical SMILES for 3-(1,1-difluoroethyl)cyclobutan-1-ol is CC(F)(F)C1CC(O)C1.
What is the InChIKey of 3-(1,1-difluoroethyl)cyclobutan-1-ol?
The InChIKey is ZBSUNJGINKARSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2O/c1-6(7,8)4-2-5(9)3-4/h4-5,9H,2-3H2,1H3.
What are the key properties of 3-(1,1-difluoroethyl)cyclobutan-1-ol?
3-(1,1-difluoroethyl)cyclobutan-1-ol has a molecular weight of 136.14 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethyl)cyclobutan-1-ol is sourced from PubChem (CID 155891385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).