3-(2,5-difluoroanilino)-2,2-dimethylcyclobutan-1-ol

C12H15F2NO — CID 112633155

IUPAC3-(2,5-difluoroanilino)-2,2-dimethylcyclobutan-1-ol
SMILESCC1(C)C(O)CC1Nc1cc(F)ccc1F
InChIInChI=1S/C12H15F2NO/c1-12(2)10(6-11(12)16)15-9-5-7(13)3-4-8(9)14/h3-5,10-11,15-16H,6H2,1-2H3
InChIKeyBTZGCZLLKYYQHV-UHFFFAOYSA-N
MW227.25 g/mol
LogP2.54
Rot. Bonds2

About 3-(2,5-difluoroanilino)-2,2-dimethylcyclobutan-1-ol

3-(2,5-difluoroanilino)-2,2-dimethylcyclobutan-1-ol (PubChem CID 112633155) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is 3-(2,5-difluoroanilino)-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-(2,5-difluoroanilino)-2,2-dimethylcyclobutan-1-ol
PubChem CID112633155
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name3-(2,5-difluoroanilino)-2,2-dimethylcyclobutan-1-ol
SMILESCC1(C)C(O)CC1Nc1cc(F)ccc1F
InChIInChI=1S/C12H15F2NO/c1-12(2)10(6-11(12)16)15-9-5-7(13)3-4-8(9)14/h3-5,10-11,15-16H,6H2,1-2H3
InChIKeyBTZGCZLLKYYQHV-UHFFFAOYSA-N
XLogP2.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-fluoro-5-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]phenyl]acetamide
CID 112633780
3-(2-amino-5-chloroanilino)-2,2-dimethylcyclobutan-1-ol
CID 114628781
3-(3,5-difluoroanilino)-2,2-dimethylcyclobutan-1-ol
CID 112633224
3-(3-bromo-4-fluoroanilino)-2,2-dimethylcyclobutan-1-ol
CID 115977942
N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-2,5-difluoroaniline
CID 64852729
3-(2-amino-4-methylanilino)-2,2-dimethylcyclobutan-1-ol
CID 114628604
3-(4-amino-2-chloroanilino)-2,2-dimethylcyclobutan-1-ol
CID 114628645
2,2-dimethyl-3-(2,3,4,5,6-pentafluoroanilino)cyclobutan-1-ol
CID 112634227
2,5-difluoro-N-(3,3,5,5-tetramethylcyclohexyl)aniline
CID 112681832
3-(3,5-dichloroanilino)-2,2-dimethylcyclobutan-1-ol
CID 112633168
3-[4-bromo-2-(trifluoromethyl)anilino]-2,2-dimethylcyclobutan-1-ol
CID 112633741
3-(2-chloro-4-iodoanilino)-2,2-dimethylcyclobutan-1-ol
CID 112633652

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluoroanilino)-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of 3-(2,5-difluoroanilino)-2,2-dimethylcyclobutan-1-ol (CID 112633155) is 3-(2,5-difluoroanilino)-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for 3-(2,5-difluoroanilino)-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for 3-(2,5-difluoroanilino)-2,2-dimethylcyclobutan-1-ol is CC1(C)C(O)CC1Nc1cc(F)ccc1F.
What is the InChIKey of 3-(2,5-difluoroanilino)-2,2-dimethylcyclobutan-1-ol?
The InChIKey is BTZGCZLLKYYQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c1-12(2)10(6-11(12)16)15-9-5-7(13)3-4-8(9)14/h3-5,10-11,15-16H,6H2,1-2H3.
What are the key properties of 3-(2,5-difluoroanilino)-2,2-dimethylcyclobutan-1-ol?
3-(2,5-difluoroanilino)-2,2-dimethylcyclobutan-1-ol has a molecular weight of 227.25 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluoroanilino)-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 112633155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).