3-[(2,2-difluoro-3-hydroxypropyl)amino]-2,2-dimethylcyclobutan-1-ol

C9H17F2NO2 — CID 104860466

IUPAC3-[(2,2-difluoro-3-hydroxypropyl)amino]-2,2-dimethylcyclobutan-1-ol
SMILESCC1(C)C(O)CC1NCC(F)(F)CO
InChIInChI=1S/C9H17F2NO2/c1-8(2)6(3-7(8)14)12-4-9(10,11)5-13/h6-7,12-14H,3-5H2,1-2H3
InChIKeyGBLMLDRBAFEMGQ-UHFFFAOYSA-N
MW209.24 g/mol
LogP0.36
Rot. Bonds4

About 3-[(2,2-difluoro-3-hydroxypropyl)amino]-2,2-dimethylcyclobutan-1-ol

3-[(2,2-difluoro-3-hydroxypropyl)amino]-2,2-dimethylcyclobutan-1-ol (PubChem CID 104860466) has the molecular formula C9H17F2NO2 and a molecular weight of 209.24 g/mol. Its IUPAC name is 3-[(2,2-difluoro-3-hydroxypropyl)amino]-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-[(2,2-difluoro-3-hydroxypropyl)amino]-2,2-dimethylcyclobutan-1-ol
PubChem CID104860466
Molecular FormulaC9H17F2NO2
Molecular Weight209.24 g/mol
Exact Mass209.12
IUPAC Name3-[(2,2-difluoro-3-hydroxypropyl)amino]-2,2-dimethylcyclobutan-1-ol
SMILESCC1(C)C(O)CC1NCC(F)(F)CO
InChIInChI=1S/C9H17F2NO2/c1-8(2)6(3-7(8)14)12-4-9(10,11)5-13/h6-7,12-14H,3-5H2,1-2H3
InChIKeyGBLMLDRBAFEMGQ-UHFFFAOYSA-N
XLogP0.36
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-3-[(2-methyl-2-methylsulfanylpropyl)amino]cyclobutan-1-ol
CID 115977681
3-[(2,2-difluoro-2-phenylethyl)amino]-2,2-dimethylcyclobutan-1-ol
CID 114629614
3-(ethylamino)-2,2-dimethylcyclobutan-1-ol
CID 112633093
3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2,2-dimethylpropanoic acid
CID 114629404
2-hydroxy-3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-methylpropanoic acid
CID 114629488
2,2-dimethyl-3-[(2-methyl-2-morpholin-4-ylpropyl)amino]cyclobutan-1-ol
CID 112633253
3-(2-cyclopentylethylamino)-2,2-dimethylcyclobutan-1-ol
CID 112633763
2,2-dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)cyclobutan-1-ol
CID 114809878
3-(2-methoxyethylamino)-2,2-dimethylcyclobutan-1-ol
CID 112633105
3-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-2,2-difluoropropan-1-ol
CID 104860510
2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propane-1,3-diol
CID 112634110
3-[(4-tert-butylcyclohexyl)methylamino]-2,2-dimethylcyclobutan-1-ol
CID 114629186

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-difluoro-3-hydroxypropyl)amino]-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of 3-[(2,2-difluoro-3-hydroxypropyl)amino]-2,2-dimethylcyclobutan-1-ol (CID 104860466) is 3-[(2,2-difluoro-3-hydroxypropyl)amino]-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for 3-[(2,2-difluoro-3-hydroxypropyl)amino]-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for 3-[(2,2-difluoro-3-hydroxypropyl)amino]-2,2-dimethylcyclobutan-1-ol is CC1(C)C(O)CC1NCC(F)(F)CO.
What is the InChIKey of 3-[(2,2-difluoro-3-hydroxypropyl)amino]-2,2-dimethylcyclobutan-1-ol?
The InChIKey is GBLMLDRBAFEMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO2/c1-8(2)6(3-7(8)14)12-4-9(10,11)5-13/h6-7,12-14H,3-5H2,1-2H3.
What are the key properties of 3-[(2,2-difluoro-3-hydroxypropyl)amino]-2,2-dimethylcyclobutan-1-ol?
3-[(2,2-difluoro-3-hydroxypropyl)amino]-2,2-dimethylcyclobutan-1-ol has a molecular weight of 209.24 g/mol, XLogP of 0.36, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-difluoro-3-hydroxypropyl)amino]-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 104860466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).