2-[2-(dimethylamino)-4,5-difluorophenyl]-2-methylpropan-1-ol

C12H17F2NO — CID 117113721

IUPAC2-[2-(dimethylamino)-4,5-difluorophenyl]-2-methylpropan-1-ol
SMILESCN(C)c1cc(F)c(F)cc1C(C)(C)CO
InChIInChI=1S/C12H17F2NO/c1-12(2,7-16)8-5-9(13)10(14)6-11(8)15(3)4/h5-6,16H,7H2,1-4H3
InChIKeyVWLIFGHSSICQGP-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.30
Rot. Bonds3

About 2-[2-(dimethylamino)-4,5-difluorophenyl]-2-methylpropan-1-ol

2-[2-(dimethylamino)-4,5-difluorophenyl]-2-methylpropan-1-ol (PubChem CID 117113721) has the molecular formula C12H17F2NO and a molecular weight of 229.27 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-4,5-difluorophenyl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[2-(dimethylamino)-4,5-difluorophenyl]-2-methylpropan-1-ol
PubChem CID117113721
Molecular FormulaC12H17F2NO
Molecular Weight229.27 g/mol
Exact Mass229.13
IUPAC Name2-[2-(dimethylamino)-4,5-difluorophenyl]-2-methylpropan-1-ol
SMILESCN(C)c1cc(F)c(F)cc1C(C)(C)CO
InChIInChI=1S/C12H17F2NO/c1-12(2,7-16)8-5-9(13)10(14)6-11(8)15(3)4/h5-6,16H,7H2,1-4H3
InChIKeyVWLIFGHSSICQGP-UHFFFAOYSA-N
XLogP2.30
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(dimethylamino)-4,5-dimethylphenyl]-2-methylpropan-1-ol
CID 117113719
2-(5-chloro-2,4-difluorophenyl)-2-methylpropan-1-ol
CID 117315005
2-(2-amino-2-methylpropyl)-4,5-difluoro-N,N-dimethylaniline
CID 117112029
2-[3-(dimethylamino)-4,5-dimethylphenyl]-2-methylpropan-1-ol
CID 117113714
2-(5-chloro-4-fluoro-2-methylphenyl)-2-methylpropan-1-ol
CID 117308722
3-fluoro-6-(1-hydroxy-2-methylpropan-2-yl)benzene-1,2-diol
CID 117289209
4-chloro-5-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol
CID 117311601
2-[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]-2-methylpropan-1-ol
CID 117328986
2-(6-fluoro-2,3-dihydro-1H-inden-5-yl)-2-methylpropan-1-ol
CID 117297811
2-[3-bromo-4-(dimethylamino)phenyl]-2-methylpropan-1-ol
CID 117432962
(2R)-2-amino-2-(2-chloro-4,5-difluorophenyl)propan-1-ol
CID 130690627
3-(2-chloro-5-fluoro-N,4-dimethylanilino)-2,2-dimethylpropan-1-ol
CID 115135295

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)-4,5-difluorophenyl]-2-methylpropan-1-ol?
The IUPAC name of 2-[2-(dimethylamino)-4,5-difluorophenyl]-2-methylpropan-1-ol (CID 117113721) is 2-[2-(dimethylamino)-4,5-difluorophenyl]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[2-(dimethylamino)-4,5-difluorophenyl]-2-methylpropan-1-ol?
The canonical SMILES for 2-[2-(dimethylamino)-4,5-difluorophenyl]-2-methylpropan-1-ol is CN(C)c1cc(F)c(F)cc1C(C)(C)CO.
What is the InChIKey of 2-[2-(dimethylamino)-4,5-difluorophenyl]-2-methylpropan-1-ol?
The InChIKey is VWLIFGHSSICQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO/c1-12(2,7-16)8-5-9(13)10(14)6-11(8)15(3)4/h5-6,16H,7H2,1-4H3.
What are the key properties of 2-[2-(dimethylamino)-4,5-difluorophenyl]-2-methylpropan-1-ol?
2-[2-(dimethylamino)-4,5-difluorophenyl]-2-methylpropan-1-ol has a molecular weight of 229.27 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)-4,5-difluorophenyl]-2-methylpropan-1-ol is sourced from PubChem (CID 117113721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).