3-[4-(2,2-difluoroethylsulfanyl)phenyl]-2-ethyl-2-methylcyclobutan-1-ol

C15H20F2OS — CID 81415981

IUPAC3-[4-(2,2-difluoroethylsulfanyl)phenyl]-2-ethyl-2-methylcyclobutan-1-ol
SMILESCCC1(C)C(O)CC1c1ccc(SCC(F)F)cc1
InChIInChI=1S/C15H20F2OS/c1-3-15(2)12(8-13(15)18)10-4-6-11(7-5-10)19-9-14(16)17/h4-7,12-14,18H,3,8-9H2,1-2H3
InChIKeyONOVGIQLUJVCEM-UHFFFAOYSA-N
MW286.39 g/mol
LogP4.31
Rot. Bonds5

About 3-[4-(2,2-difluoroethylsulfanyl)phenyl]-2-ethyl-2-methylcyclobutan-1-ol

3-[4-(2,2-difluoroethylsulfanyl)phenyl]-2-ethyl-2-methylcyclobutan-1-ol (PubChem CID 81415981) has the molecular formula C15H20F2OS and a molecular weight of 286.39 g/mol. Its IUPAC name is 3-[4-(2,2-difluoroethylsulfanyl)phenyl]-2-ethyl-2-methylcyclobutan-1-ol.

Molecular Properties

Compound Name3-[4-(2,2-difluoroethylsulfanyl)phenyl]-2-ethyl-2-methylcyclobutan-1-ol
PubChem CID81415981
Molecular FormulaC15H20F2OS
Molecular Weight286.39 g/mol
Exact Mass286.12
IUPAC Name3-[4-(2,2-difluoroethylsulfanyl)phenyl]-2-ethyl-2-methylcyclobutan-1-ol
SMILESCCC1(C)C(O)CC1c1ccc(SCC(F)F)cc1
InChIInChI=1S/C15H20F2OS/c1-3-15(2)12(8-13(15)18)10-4-6-11(7-5-10)19-9-14(16)17/h4-7,12-14,18H,3,8-9H2,1-2H3
InChIKeyONOVGIQLUJVCEM-UHFFFAOYSA-N
XLogP4.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-2-methyl-3-pyridin-4-ylcyclobutan-1-ol
CID 81415976
2-ethyl-2-methyl-3-(4-nitrophenyl)cyclobutan-1-ol
CID 81416095
3-[4-(2,2-difluoroethylsulfanyl)phenyl]-N,2-diethylcyclobutan-1-amine
CID 81417149
3-(4-ethylphenyl)-2,2-dimethylcyclobutan-1-ol
CID 81416562
3-(2,4-difluorophenyl)-2-ethyl-2-methylcyclobutan-1-ol
CID 81415013
2-ethyl-2-methyl-3-pyridin-2-ylcyclobutan-1-ol
CID 81416223
2-[4-(2,2-difluoroethylsulfanyl)phenyl]morpholine
CID 84806190
2,2-diethyl-3-(4-methylphenyl)cyclobutan-1-ol
CID 81415265
4-(2,2-difluoroethylsulfanyl)benzaldehyde
CID 84670647
2,2-dimethyl-3-(4-methylphenyl)cyclobutan-1-ol
CID 81416088
1-(2,2-difluoroethylsulfanyl)-4-(1-isocyanatocyclopropyl)benzene
CID 84804939
2-[4-(2-methylpropylsulfanyl)phenyl]oxirane
CID 13456629

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,2-difluoroethylsulfanyl)phenyl]-2-ethyl-2-methylcyclobutan-1-ol?
The IUPAC name of 3-[4-(2,2-difluoroethylsulfanyl)phenyl]-2-ethyl-2-methylcyclobutan-1-ol (CID 81415981) is 3-[4-(2,2-difluoroethylsulfanyl)phenyl]-2-ethyl-2-methylcyclobutan-1-ol.
What is the SMILES notation for 3-[4-(2,2-difluoroethylsulfanyl)phenyl]-2-ethyl-2-methylcyclobutan-1-ol?
The canonical SMILES for 3-[4-(2,2-difluoroethylsulfanyl)phenyl]-2-ethyl-2-methylcyclobutan-1-ol is CCC1(C)C(O)CC1c1ccc(SCC(F)F)cc1.
What is the InChIKey of 3-[4-(2,2-difluoroethylsulfanyl)phenyl]-2-ethyl-2-methylcyclobutan-1-ol?
The InChIKey is ONOVGIQLUJVCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2OS/c1-3-15(2)12(8-13(15)18)10-4-6-11(7-5-10)19-9-14(16)17/h4-7,12-14,18H,3,8-9H2,1-2H3.
What are the key properties of 3-[4-(2,2-difluoroethylsulfanyl)phenyl]-2-ethyl-2-methylcyclobutan-1-ol?
3-[4-(2,2-difluoroethylsulfanyl)phenyl]-2-ethyl-2-methylcyclobutan-1-ol has a molecular weight of 286.39 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,2-difluoroethylsulfanyl)phenyl]-2-ethyl-2-methylcyclobutan-1-ol is sourced from PubChem (CID 81415981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).