(2,4-difluorophenyl)-(dimethylamino)methanol

C9H11F2NO — CID 116909567

IUPAC(2,4-difluorophenyl)-(dimethylamino)methanol
SMILESCN(C)C(O)c1ccc(F)cc1F
InChIInChI=1S/C9H11F2NO/c1-12(2)9(13)7-4-3-6(10)5-8(7)11/h3-5,9,13H,1-2H3
InChIKeyQAGLLPSUWOFFJO-UHFFFAOYSA-N
MW187.19 g/mol
LogP1.52
Rot. Bonds2

About (2,4-difluorophenyl)-(dimethylamino)methanol

(2,4-difluorophenyl)-(dimethylamino)methanol (PubChem CID 116909567) has the molecular formula C9H11F2NO and a molecular weight of 187.19 g/mol. Its IUPAC name is (2,4-difluorophenyl)-(dimethylamino)methanol.

Molecular Properties

Compound Name(2,4-difluorophenyl)-(dimethylamino)methanol
PubChem CID116909567
Molecular FormulaC9H11F2NO
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name(2,4-difluorophenyl)-(dimethylamino)methanol
SMILESCN(C)C(O)c1ccc(F)cc1F
InChIInChI=1S/C9H11F2NO/c1-12(2)9(13)7-4-3-6(10)5-8(7)11/h3-5,9,13H,1-2H3
InChIKeyQAGLLPSUWOFFJO-UHFFFAOYSA-N
XLogP1.52
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2,4-difluorophenyl)methanediol
CID 91089962
1-(2,4-difluorophenyl)-N,N,2-trimethylpropan-1-amine
CID 89477372
1-(2,4-difluorophenyl)-1-(dimethylamino)propan-2-one
CID 90178952
1-(2,4-difluorophenyl)-2-(dimethylamino)-2-methylpropan-1-ol
CID 79046035
1-(2,4-difluorophenyl)-3-(dimethylamino)propan-1-ol
CID 83810140
[(1S)-1-(2,4-difluorophenyl)ethyl]azanium chloride
CID 89251980
1-(2,4-difluorophenyl)-1-(dimethylamino)-3,3-dimethylbutan-2-one
CID 58533232
1-(2,4-difluorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol
CID 103310549
(1S)-1-(2,4-difluorophenyl)-1-hydroxypropan-2-one
CID 101087572
1-(2,4-difluorophenyl)-N,N-dimethylbutan-1-amine
CID 91482884
dimethylamino-(4-fluorophenyl)methanol
CID 116909515
1-(2,4-difluorophenyl)-3-methylbutan-1-ol
CID 61087910

Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-(dimethylamino)methanol?
The IUPAC name of (2,4-difluorophenyl)-(dimethylamino)methanol (CID 116909567) is (2,4-difluorophenyl)-(dimethylamino)methanol.
What is the SMILES notation for (2,4-difluorophenyl)-(dimethylamino)methanol?
The canonical SMILES for (2,4-difluorophenyl)-(dimethylamino)methanol is CN(C)C(O)c1ccc(F)cc1F.
What is the InChIKey of (2,4-difluorophenyl)-(dimethylamino)methanol?
The InChIKey is QAGLLPSUWOFFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO/c1-12(2)9(13)7-4-3-6(10)5-8(7)11/h3-5,9,13H,1-2H3.
What are the key properties of (2,4-difluorophenyl)-(dimethylamino)methanol?
(2,4-difluorophenyl)-(dimethylamino)methanol has a molecular weight of 187.19 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)-(dimethylamino)methanol is sourced from PubChem (CID 116909567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).