2-(3,4-difluorophenyl)-2-(dimethylamino)ethanol

C10H13F2NO — CID 54776114

IUPAC2-(3,4-difluorophenyl)-2-(dimethylamino)ethanol
SMILESCN(C)C(CO)c1ccc(F)c(F)c1
InChIInChI=1S/C10H13F2NO/c1-13(2)10(6-14)7-3-4-8(11)9(12)5-7/h3-5,10,14H,6H2,1-2H3
InChIKeyJFOGNXVZIDYXIH-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.56
Rot. Bonds3

About 2-(3,4-difluorophenyl)-2-(dimethylamino)ethanol

2-(3,4-difluorophenyl)-2-(dimethylamino)ethanol (PubChem CID 54776114) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-2-(dimethylamino)ethanol.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-2-(dimethylamino)ethanol
PubChem CID54776114
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name2-(3,4-difluorophenyl)-2-(dimethylamino)ethanol
SMILESCN(C)C(CO)c1ccc(F)c(F)c1
InChIInChI=1S/C10H13F2NO/c1-13(2)10(6-14)7-3-4-8(11)9(12)5-7/h3-5,10,14H,6H2,1-2H3
InChIKeyJFOGNXVZIDYXIH-UHFFFAOYSA-N
XLogP1.56
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3,4-difluorophenyl)-(dimethylamino)methyl]-3-methylbutan-1-ol
CID 116913438
5-(3,4-difluorophenyl)-5-(dimethylamino)pentanoic acid
CID 116907920
1-(3,4-difluorophenyl)ethane-1,2-diol
CID 71469386
2-amino-2-(3,4-difluorophenyl)ethanol
CID 22048878
2-(2,3-dihydro-1H-inden-5-yl)-2-(dimethylamino)ethanol
CID 116857218
2-[ethenyl(methyl)amino]-2-(3-fluoro-4-methylphenyl)ethanol
CID 144941479
2-(3,4-difluorophenyl)-2-(2-methylpropylamino)ethanol
CID 61055745
(2S)-2-[[(1R)-1-(3,4-difluorophenyl)-2-methylpropyl]amino]propan-1-ol
CID 99777285
1-(3,4-difluorophenyl)-N-methyl-N-propylethane-1,2-diamine
CID 43271010
1-(3,4-difluorophenyl)-N,N-dimethyl-2-piperidin-2-ylethanamine
CID 116906794
2-[1-(3,4-difluorophenyl)ethyl-methylamino]-N-(propylcarbamoyl)acetamide
CID 46620951
2-(dimethylamino)-2-(2-iodo-1,3-dihydroisoindol-5-yl)ethanol
CID 134331148

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-2-(dimethylamino)ethanol?
The IUPAC name of 2-(3,4-difluorophenyl)-2-(dimethylamino)ethanol (CID 54776114) is 2-(3,4-difluorophenyl)-2-(dimethylamino)ethanol.
What is the SMILES notation for 2-(3,4-difluorophenyl)-2-(dimethylamino)ethanol?
The canonical SMILES for 2-(3,4-difluorophenyl)-2-(dimethylamino)ethanol is CN(C)C(CO)c1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)-2-(dimethylamino)ethanol?
The InChIKey is JFOGNXVZIDYXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO/c1-13(2)10(6-14)7-3-4-8(11)9(12)5-7/h3-5,10,14H,6H2,1-2H3.
What are the key properties of 2-(3,4-difluorophenyl)-2-(dimethylamino)ethanol?
2-(3,4-difluorophenyl)-2-(dimethylamino)ethanol has a molecular weight of 201.22 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-2-(dimethylamino)ethanol is sourced from PubChem (CID 54776114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).