3-[(2-fluorophenyl)methoxy]-2,2-dimethylcyclobutan-1-ol

C13H17FO2 — CID 66345232

IUPAC3-[(2-fluorophenyl)methoxy]-2,2-dimethylcyclobutan-1-ol
SMILESCC1(C)C(O)CC1OCc1ccccc1F
InChIInChI=1S/C13H17FO2/c1-13(2)11(15)7-12(13)16-8-9-5-3-4-6-10(9)14/h3-6,11-12,15H,7-8H2,1-2H3
InChIKeyAFGXDPCNTKQAMC-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.50
Rot. Bonds3

About 3-[(2-fluorophenyl)methoxy]-2,2-dimethylcyclobutan-1-ol

3-[(2-fluorophenyl)methoxy]-2,2-dimethylcyclobutan-1-ol (PubChem CID 66345232) has the molecular formula C13H17FO2 and a molecular weight of 224.27 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methoxy]-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methoxy]-2,2-dimethylcyclobutan-1-ol
PubChem CID66345232
Molecular FormulaC13H17FO2
Molecular Weight224.27 g/mol
Exact Mass224.12
IUPAC Name3-[(2-fluorophenyl)methoxy]-2,2-dimethylcyclobutan-1-ol
SMILESCC1(C)C(O)CC1OCc1ccccc1F
InChIInChI=1S/C13H17FO2/c1-13(2)11(15)7-12(13)16-8-9-5-3-4-6-10(9)14/h3-6,11-12,15H,7-8H2,1-2H3
InChIKeyAFGXDPCNTKQAMC-UHFFFAOYSA-N
XLogP2.50
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(2-fluorophenyl)methoxy]-2,2-dimethylcyclobutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-diethyl-3-[(2-fluorophenyl)methoxy]cyclobutan-1-ol
CID 66344808
3-[(2-fluorophenyl)methoxy]spiro[3.6]decan-1-ol
CID 66345231
3-[(2-fluorophenyl)methoxy]-N-methylspiro[3.4]octan-1-amine
CID 66353126
2-[(2-fluorophenyl)methoxy]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115420186
3-bromo-1-[(2-fluorophenyl)methoxy]spiro[3.6]decane
CID 66345184
(1R,3R,7S,9S)-9-[(2-fluorophenyl)methoxy]-1-methyl-2-oxatricyclo[4.3.1.03,7]decane
CID 67835937
4-[(2-fluorophenyl)methoxy]-2,2-dimethyloxolane
CID 21326643
3-(2-fluorophenyl)-2,2-dimethylcyclobutan-1-ol
CID 81415603
cis-(1S,3R)-3-ethoxy-2,2-dimethylcyclobutan-1-ol
CID 95240890
(1S,2R,4R,5R)-2-[(2-fluorophenyl)methoxy]-1-methyl-5-phenylmethoxy-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane
CID 172571660
(1S,2R,4R)-2-[(2-fluorophenyl)methoxy]-1-methyl-5-methylidene-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane
CID 172571332
1-[(2-ethoxycyclopentyl)oxymethyl]-2-fluorobenzene
CID 21162814

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methoxy]-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of 3-[(2-fluorophenyl)methoxy]-2,2-dimethylcyclobutan-1-ol (CID 66345232) is 3-[(2-fluorophenyl)methoxy]-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for 3-[(2-fluorophenyl)methoxy]-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for 3-[(2-fluorophenyl)methoxy]-2,2-dimethylcyclobutan-1-ol is CC1(C)C(O)CC1OCc1ccccc1F.
What is the InChIKey of 3-[(2-fluorophenyl)methoxy]-2,2-dimethylcyclobutan-1-ol?
The InChIKey is AFGXDPCNTKQAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO2/c1-13(2)11(15)7-12(13)16-8-9-5-3-4-6-10(9)14/h3-6,11-12,15H,7-8H2,1-2H3.
What are the key properties of 3-[(2-fluorophenyl)methoxy]-2,2-dimethylcyclobutan-1-ol?
3-[(2-fluorophenyl)methoxy]-2,2-dimethylcyclobutan-1-ol has a molecular weight of 224.27 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methoxy]-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 66345232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).