3-amino-1-(2,6-difluorophenyl)-2,2-dimethylpropan-1-ol

C11H15F2NO — CID 79138972

IUPAC3-amino-1-(2,6-difluorophenyl)-2,2-dimethylpropan-1-ol
SMILESCC(C)(CN)C(O)c1c(F)cccc1F
InChIInChI=1S/C11H15F2NO/c1-11(2,6-14)10(15)9-7(12)4-3-5-8(9)13/h3-5,10,15H,6,14H2,1-2H3
InChIKeyHDIOIFWLNBLNML-UHFFFAOYSA-N
MW215.24 g/mol
LogP1.98
Rot. Bonds3

About 3-amino-1-(2,6-difluorophenyl)-2,2-dimethylpropan-1-ol

3-amino-1-(2,6-difluorophenyl)-2,2-dimethylpropan-1-ol (PubChem CID 79138972) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is 3-amino-1-(2,6-difluorophenyl)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-amino-1-(2,6-difluorophenyl)-2,2-dimethylpropan-1-ol
PubChem CID79138972
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name3-amino-1-(2,6-difluorophenyl)-2,2-dimethylpropan-1-ol
SMILESCC(C)(CN)C(O)c1c(F)cccc1F
InChIInChI=1S/C11H15F2NO/c1-11(2,6-14)10(15)9-7(12)4-3-5-8(9)13/h3-5,10,15H,6,14H2,1-2H3
InChIKeyHDIOIFWLNBLNML-UHFFFAOYSA-N
XLogP1.98
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(diethylamino)-1-(2,6-difluorophenyl)-2-methylpropan-1-ol
CID 79053451
3-(aminomethyl)-4-(2,6-difluorophenyl)-3-methylbutan-2-ol
CID 114934759
2-(diethylamino)-1-(2,6-difluorophenyl)-2-methylbutan-1-ol
CID 79064375
(1R,3S)-3-amino-1-(2,6-difluorophenyl)-4,4-dimethylpentan-1-ol
CID 171236754
2-amino-1-(2-bromo-6-fluorophenyl)-2-methylpropan-1-ol
CID 130921663
1-(2,6-difluorophenyl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-ol
CID 79067738
(1R,3R)-3-amino-1-(2,6-difluorophenyl)-4,4-dimethylpentan-1-ol;hydrochloride
CID 171237671
1-(2,6-difluorophenyl)-4,4-dimethylpentan-1-ol
CID 65148322
1-(2-fluorophenyl)-2,2-dimethylpropane-1,3-diamine
CID 116933473
1-(2,6-difluorophenyl)ethanol
CID 5012075
2-(aminomethyl)-1-(2-fluorophenyl)-2-methylbutan-1-ol
CID 79137948
ethyl 3-(2-chloro-6-fluorophenyl)-3-hydroxy-2,2-dimethylpropanoate
CID 62397211

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,6-difluorophenyl)-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-amino-1-(2,6-difluorophenyl)-2,2-dimethylpropan-1-ol (CID 79138972) is 3-amino-1-(2,6-difluorophenyl)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-amino-1-(2,6-difluorophenyl)-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-amino-1-(2,6-difluorophenyl)-2,2-dimethylpropan-1-ol is CC(C)(CN)C(O)c1c(F)cccc1F.
What is the InChIKey of 3-amino-1-(2,6-difluorophenyl)-2,2-dimethylpropan-1-ol?
The InChIKey is HDIOIFWLNBLNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-11(2,6-14)10(15)9-7(12)4-3-5-8(9)13/h3-5,10,15H,6,14H2,1-2H3.
What are the key properties of 3-amino-1-(2,6-difluorophenyl)-2,2-dimethylpropan-1-ol?
3-amino-1-(2,6-difluorophenyl)-2,2-dimethylpropan-1-ol has a molecular weight of 215.24 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2,6-difluorophenyl)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 79138972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).