3-(2,4-difluorophenyl)-2-ethyl-2-methylcyclobutan-1-ol

C13H16F2O — CID 81415013

IUPAC3-(2,4-difluorophenyl)-2-ethyl-2-methylcyclobutan-1-ol
SMILESCCC1(C)C(O)CC1c1ccc(F)cc1F
InChIInChI=1S/C13H16F2O/c1-3-13(2)10(7-12(13)16)9-5-4-8(14)6-11(9)15/h4-6,10,12,16H,3,7H2,1-2H3
InChIKeyWJPROAJINFXPSO-UHFFFAOYSA-N
MW226.27 g/mol
LogP3.23
Rot. Bonds2

About 3-(2,4-difluorophenyl)-2-ethyl-2-methylcyclobutan-1-ol

3-(2,4-difluorophenyl)-2-ethyl-2-methylcyclobutan-1-ol (PubChem CID 81415013) has the molecular formula C13H16F2O and a molecular weight of 226.27 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-2-ethyl-2-methylcyclobutan-1-ol.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-2-ethyl-2-methylcyclobutan-1-ol
PubChem CID81415013
Molecular FormulaC13H16F2O
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name3-(2,4-difluorophenyl)-2-ethyl-2-methylcyclobutan-1-ol
SMILESCCC1(C)C(O)CC1c1ccc(F)cc1F
InChIInChI=1S/C13H16F2O/c1-3-13(2)10(7-12(13)16)9-5-4-8(14)6-11(9)15/h4-6,10,12,16H,3,7H2,1-2H3
InChIKeyWJPROAJINFXPSO-UHFFFAOYSA-N
XLogP3.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,4-difluorophenyl)-2-methyloxiran-2-ol
CID 57033159
2-ethyl-2-methyl-3-pyridin-4-ylcyclobutan-1-ol
CID 81415976
2-ethyl-2-methyl-3-(2,3,5,6-tetrafluorophenoxy)cyclobutan-1-ol
CID 103290555
2-ethyl-2-methyl-3-pyridin-2-ylcyclobutan-1-ol
CID 81416223
[(1S,2R)-1-(aminomethyl)-2-(2,4-difluorophenyl)cyclopropyl]methanol
CID 95002787
5-(2,4-difluorophenyl)-3,3-dimethyldithiolan-4-ol;methanamine
CID 164565468
2-ethyl-2-methyl-3-(4-nitrophenyl)cyclobutan-1-ol
CID 81416095
3-(2-fluorophenyl)-2,2-dimethylcyclobutan-1-ol
CID 81415603
3-[4-(2,2-difluoroethylsulfanyl)phenyl]-2-ethyl-2-methylcyclobutan-1-ol
CID 81415981
1-[(1S,2S)-2-(2,4-difluorophenyl)cyclopropyl]-N-methylmethanamine
CID 94558271
1-[2-(2,2-dimethylpropyl)cyclopropyl]-2,4-difluorobenzene
CID 146184894
2,4-difluoro-1-(4-propylcyclohexyl)benzene
CID 20677019

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-2-ethyl-2-methylcyclobutan-1-ol?
The IUPAC name of 3-(2,4-difluorophenyl)-2-ethyl-2-methylcyclobutan-1-ol (CID 81415013) is 3-(2,4-difluorophenyl)-2-ethyl-2-methylcyclobutan-1-ol.
What is the SMILES notation for 3-(2,4-difluorophenyl)-2-ethyl-2-methylcyclobutan-1-ol?
The canonical SMILES for 3-(2,4-difluorophenyl)-2-ethyl-2-methylcyclobutan-1-ol is CCC1(C)C(O)CC1c1ccc(F)cc1F.
What is the InChIKey of 3-(2,4-difluorophenyl)-2-ethyl-2-methylcyclobutan-1-ol?
The InChIKey is WJPROAJINFXPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2O/c1-3-13(2)10(7-12(13)16)9-5-4-8(14)6-11(9)15/h4-6,10,12,16H,3,7H2,1-2H3.
What are the key properties of 3-(2,4-difluorophenyl)-2-ethyl-2-methylcyclobutan-1-ol?
3-(2,4-difluorophenyl)-2-ethyl-2-methylcyclobutan-1-ol has a molecular weight of 226.27 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-2-ethyl-2-methylcyclobutan-1-ol is sourced from PubChem (CID 81415013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).