2-[[2,2-difluoroethyl(methyl)amino]methyl]phenol

C10H13F2NO — CID 115624862

IUPAC2-[[2,2-difluoroethyl(methyl)amino]methyl]phenol
SMILESCN(Cc1ccccc1O)CC(F)F
InChIInChI=1S/C10H13F2NO/c1-13(7-10(11)12)6-8-4-2-3-5-9(8)14/h2-5,10,14H,6-7H2,1H3
InChIKeyVWQLABLQJZYRKK-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.09
Rot. Bonds4

About 2-[[2,2-difluoroethyl(methyl)amino]methyl]phenol

2-[[2,2-difluoroethyl(methyl)amino]methyl]phenol (PubChem CID 115624862) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-[[2,2-difluoroethyl(methyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-[[2,2-difluoroethyl(methyl)amino]methyl]phenol
PubChem CID115624862
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name2-[[2,2-difluoroethyl(methyl)amino]methyl]phenol
SMILESCN(Cc1ccccc1O)CC(F)F
InChIInChI=1S/C10H13F2NO/c1-13(7-10(11)12)6-8-4-2-3-5-9(8)14/h2-5,10,14H,6-7H2,1H3
InChIKeyVWQLABLQJZYRKK-UHFFFAOYSA-N
XLogP2.09
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(aminomethyl)phenyl]methyl]-2,2-difluoro-N-methylethanamine
CID 60922084
3-[[2,2-difluoroethyl(methyl)amino]methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107117465
2-[[3-(dimethylamino)propyl-methylamino]methyl]phenol
CID 115349430
2-[1-(dimethylamino)ethyl]phenol;2-[(dimethylamino)methyl]phenol
CID 174369266
2-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]phenol
CID 115884791
2-[[bis(3-methylbutyl)amino]methyl]phenol
CID 107871853
1-[(2-bromophenyl)methyl-methylamino]butan-2-ol
CID 61416488
N-[(2,6-dichloro-3-pyridinyl)methyl]-2,2-difluoro-N-methylethanamine
CID 106993934
2-[(2-hydroxyphenyl)methyl-methylamino]propanoic acid
CID 65060241
2-[[[4-[(2-hydroxyphenyl)methyl-methylamino]cyclohexyl]-methylamino]methyl]phenol
CID 118815979
ethane;2-[[[3-[(2-hydroxyphenyl)methyl-methylamino]-2,3-dimethylbutan-2-yl]-methylamino]methyl]phenol
CID 167677663
2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]phenol
CID 82980533

Frequently Asked Questions

What is the IUPAC name of 2-[[2,2-difluoroethyl(methyl)amino]methyl]phenol?
The IUPAC name of 2-[[2,2-difluoroethyl(methyl)amino]methyl]phenol (CID 115624862) is 2-[[2,2-difluoroethyl(methyl)amino]methyl]phenol.
What is the SMILES notation for 2-[[2,2-difluoroethyl(methyl)amino]methyl]phenol?
The canonical SMILES for 2-[[2,2-difluoroethyl(methyl)amino]methyl]phenol is CN(Cc1ccccc1O)CC(F)F.
What is the InChIKey of 2-[[2,2-difluoroethyl(methyl)amino]methyl]phenol?
The InChIKey is VWQLABLQJZYRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO/c1-13(7-10(11)12)6-8-4-2-3-5-9(8)14/h2-5,10,14H,6-7H2,1H3.
What are the key properties of 2-[[2,2-difluoroethyl(methyl)amino]methyl]phenol?
2-[[2,2-difluoroethyl(methyl)amino]methyl]phenol has a molecular weight of 201.22 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,2-difluoroethyl(methyl)amino]methyl]phenol is sourced from PubChem (CID 115624862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).