3-fluoro-1,3-dimethylcyclobutan-1-ol

C6H11FO — CID 58387782

IUPAC3-fluoro-1,3-dimethylcyclobutan-1-ol
SMILESCC1(O)CC(C)(F)C1
InChIInChI=1S/C6H11FO/c1-5(7)3-6(2,8)4-5/h8H,3-4H2,1-2H3
InChIKeyPEEGJRMTJIBVOY-UHFFFAOYSA-N
MW118.15 g/mol
LogP1.26
Rot. Bonds

About 3-fluoro-1,3-dimethylcyclobutan-1-ol

3-fluoro-1,3-dimethylcyclobutan-1-ol (PubChem CID 58387782) has the molecular formula C6H11FO and a molecular weight of 118.15 g/mol. Its IUPAC name is 3-fluoro-1,3-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-fluoro-1,3-dimethylcyclobutan-1-ol
PubChem CID58387782
Molecular FormulaC6H11FO
Molecular Weight118.15 g/mol
Exact Mass118.08
IUPAC Name3-fluoro-1,3-dimethylcyclobutan-1-ol
SMILESCC1(O)CC(C)(F)C1
InChIInChI=1S/C6H11FO/c1-5(7)3-6(2,8)4-5/h8H,3-4H2,1-2H3
InChIKeyPEEGJRMTJIBVOY-UHFFFAOYSA-N
XLogP1.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.15
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;1-hydrazinyl-3-methylcyclobutane-1,3-diol
CID 169238990
1-fluoro-1-methylcyclopropane
CID 18684623
4-(4-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2,2,6,6-tetramethylpiperidin-4-ol
CID 546965
hexane;1,3,5-trimethylcyclohexane-1,3,5-triol
CID 175548282
1,3,5-trifluoro-3,7,7-trimethylbicyclo[3.3.1]nonane
CID 144996123
3,3-difluoro-1-methylsulfanylcyclobutan-1-ol
CID 167219253
1-ethyl-3-fluoro-3-methylcyclobutane-1-carboxylic acid
CID 115012546
1-ethyl-3-fluoro-3-methylcyclobutan-1-amine
CID 115011238
5,5-difluoro-3-methyl-1-propan-2-ylpiperidin-3-ol
CID 178173049
ethane;4-fluoro-4-methylpiperidine
CID 142139578
1,1,3-trifluoro-3-methylcyclopentane
CID 118604356
(4-fluoro-4-methylcyclohexyl)methanol
CID 84649094

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1,3-dimethylcyclobutan-1-ol?
The IUPAC name of 3-fluoro-1,3-dimethylcyclobutan-1-ol (CID 58387782) is 3-fluoro-1,3-dimethylcyclobutan-1-ol.
What is the SMILES notation for 3-fluoro-1,3-dimethylcyclobutan-1-ol?
The canonical SMILES for 3-fluoro-1,3-dimethylcyclobutan-1-ol is CC1(O)CC(C)(F)C1.
What is the InChIKey of 3-fluoro-1,3-dimethylcyclobutan-1-ol?
The InChIKey is PEEGJRMTJIBVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FO/c1-5(7)3-6(2,8)4-5/h8H,3-4H2,1-2H3.
What are the key properties of 3-fluoro-1,3-dimethylcyclobutan-1-ol?
3-fluoro-1,3-dimethylcyclobutan-1-ol has a molecular weight of 118.15 g/mol, XLogP of 1.26, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1,3-dimethylcyclobutan-1-ol is sourced from PubChem (CID 58387782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).