2,2-dimethyl-3-[3-(trifluoromethoxy)anilino]cyclobutan-1-ol

C13H16F3NO2 — CID 112633237

IUPAC2,2-dimethyl-3-[3-(trifluoromethoxy)anilino]cyclobutan-1-ol
SMILESCC1(C)C(O)CC1Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C13H16F3NO2/c1-12(2)10(7-11(12)18)17-8-4-3-5-9(6-8)19-13(14,15)16/h3-6,10-11,17-18H,7H2,1-2H3
InChIKeyQBQSFRXZQLNJGA-UHFFFAOYSA-N
MW275.27 g/mol
LogP3.16
Rot. Bonds3

About 2,2-dimethyl-3-[3-(trifluoromethoxy)anilino]cyclobutan-1-ol

2,2-dimethyl-3-[3-(trifluoromethoxy)anilino]cyclobutan-1-ol (PubChem CID 112633237) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is 2,2-dimethyl-3-[3-(trifluoromethoxy)anilino]cyclobutan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-[3-(trifluoromethoxy)anilino]cyclobutan-1-ol
PubChem CID112633237
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC Name2,2-dimethyl-3-[3-(trifluoromethoxy)anilino]cyclobutan-1-ol
SMILESCC1(C)C(O)CC1Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C13H16F3NO2/c1-12(2)10(7-11(12)18)17-8-4-3-5-9(6-8)19-13(14,15)16/h3-6,10-11,17-18H,7H2,1-2H3
InChIKeyQBQSFRXZQLNJGA-UHFFFAOYSA-N
XLogP3.16
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-butan-2-yloxyanilino)-2,2-dimethylcyclobutan-1-ol
CID 112633972
2,2-dimethyl-3-(3-methylanilino)cyclobutan-1-ol
CID 112633098
3-(trifluoromethoxy)-N-(3,3,5-trimethylcyclohexyl)aniline
CID 43108619
4-[3-(trifluoromethoxy)anilino]oxolan-3-ol
CID 60899392
8-methyl-N-[3-(trifluoromethoxy)phenyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 43131680
N,2,2-trimethyl-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-amine
CID 81417291
3-(3,5-difluoroanilino)-2,2-dimethylcyclobutan-1-ol
CID 112633224
3-(4-amino-3-methylanilino)-2,2-dimethylcyclobutan-1-ol
CID 114628567
3-(3-bromo-4-fluoroanilino)-2,2-dimethylcyclobutan-1-ol
CID 115977942
(3S)-2,2-dimethyl-3-[[3-(trifluoromethoxy)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 71125129
N-[3-(trifluoromethoxy)phenyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 43121637
N-(2,2-dimethylpropyl)-3-(trifluoromethoxy)aniline
CID 20786166

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[3-(trifluoromethoxy)anilino]cyclobutan-1-ol?
The IUPAC name of 2,2-dimethyl-3-[3-(trifluoromethoxy)anilino]cyclobutan-1-ol (CID 112633237) is 2,2-dimethyl-3-[3-(trifluoromethoxy)anilino]cyclobutan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-[3-(trifluoromethoxy)anilino]cyclobutan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-[3-(trifluoromethoxy)anilino]cyclobutan-1-ol is CC1(C)C(O)CC1Nc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 2,2-dimethyl-3-[3-(trifluoromethoxy)anilino]cyclobutan-1-ol?
The InChIKey is QBQSFRXZQLNJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2/c1-12(2)10(7-11(12)18)17-8-4-3-5-9(6-8)19-13(14,15)16/h3-6,10-11,17-18H,7H2,1-2H3.
What are the key properties of 2,2-dimethyl-3-[3-(trifluoromethoxy)anilino]cyclobutan-1-ol?
2,2-dimethyl-3-[3-(trifluoromethoxy)anilino]cyclobutan-1-ol has a molecular weight of 275.27 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[3-(trifluoromethoxy)anilino]cyclobutan-1-ol is sourced from PubChem (CID 112633237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).