2-(3,3-difluorocyclobutyl)-2-methoxyethanol

C7H12F2O2 — CID 155821768

IUPAC2-(3,3-difluorocyclobutyl)-2-methoxyethanol
SMILESCOC(CO)C1CC(F)(F)C1
InChIInChI=1S/C7H12F2O2/c1-11-6(4-10)5-2-7(8,9)3-5/h5-6,10H,2-4H2,1H3
InChIKeyWNJLNCRBVTYGCL-UHFFFAOYSA-N
MW166.17 g/mol
LogP1.04
Rot. Bonds3

About 2-(3,3-difluorocyclobutyl)-2-methoxyethanol

2-(3,3-difluorocyclobutyl)-2-methoxyethanol (PubChem CID 155821768) has the molecular formula C7H12F2O2 and a molecular weight of 166.17 g/mol. Its IUPAC name is 2-(3,3-difluorocyclobutyl)-2-methoxyethanol.

Molecular Properties

Compound Name2-(3,3-difluorocyclobutyl)-2-methoxyethanol
PubChem CID155821768
Molecular FormulaC7H12F2O2
Molecular Weight166.17 g/mol
Exact Mass166.08
IUPAC Name2-(3,3-difluorocyclobutyl)-2-methoxyethanol
SMILESCOC(CO)C1CC(F)(F)C1
InChIInChI=1S/C7H12F2O2/c1-11-6(4-10)5-2-7(8,9)3-5/h5-6,10H,2-4H2,1H3
InChIKeyWNJLNCRBVTYGCL-UHFFFAOYSA-N
XLogP1.04
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 ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[2-(3,3-difluorocyclobutyl)-2-methoxyethyl]amino]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid
CID 166397020
(2S)-2-(3,3-difluorocyclobutyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 129497624
1-[4-(1-methoxypropyl)cyclohexyl]ethanol
CID 139792579
1,1-difluoro-3-[5-(2-methoxyethoxy)hexan-2-yl]cyclobutane
CID 155281757
2,2,5,5-tetrafluoro-1,3,3a,4,6,6a-hexahydropentalene
CID 139551105
propan-2-yl 3,3-difluorocyclobutane-1-carboxylate
CID 131200165
tert-butyl N-[2-(3,3-difluorocyclobutyl)-2-hydroxyethyl]-N-methylcarbamate
CID 167740963
(2S)-2-amino-2-(3,3-difluorocyclohexyl)ethanol
CID 160689350
1-(3,3-difluorocyclobutyl)ethylhydrazine
CID 130847643
(2-ethyl-4,4-difluorocyclopentyl)methanol
CID 144773469
(2S,3R,4S,5R)-5-[(1R)-2-hydroxy-1-methoxyethyl]-3-methoxyoxolane-2,4-diol
CID 69029255
(2-bromo-1-methoxyethyl)cyclopentane
CID 122164136

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorocyclobutyl)-2-methoxyethanol?
The IUPAC name of 2-(3,3-difluorocyclobutyl)-2-methoxyethanol (CID 155821768) is 2-(3,3-difluorocyclobutyl)-2-methoxyethanol.
What is the SMILES notation for 2-(3,3-difluorocyclobutyl)-2-methoxyethanol?
The canonical SMILES for 2-(3,3-difluorocyclobutyl)-2-methoxyethanol is COC(CO)C1CC(F)(F)C1.
What is the InChIKey of 2-(3,3-difluorocyclobutyl)-2-methoxyethanol?
The InChIKey is WNJLNCRBVTYGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2O2/c1-11-6(4-10)5-2-7(8,9)3-5/h5-6,10H,2-4H2,1H3.
What are the key properties of 2-(3,3-difluorocyclobutyl)-2-methoxyethanol?
2-(3,3-difluorocyclobutyl)-2-methoxyethanol has a molecular weight of 166.17 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclobutyl)-2-methoxyethanol is sourced from PubChem (CID 155821768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).