5-(2-amino-1,1-difluoroethyl)-2-methoxyphenol

C9H11F2NO2 — CID 105425996

IUPAC5-(2-amino-1,1-difluoroethyl)-2-methoxyphenol
SMILESCOc1ccc(C(F)(F)CN)cc1O
InChIInChI=1S/C9H11F2NO2/c1-14-8-3-2-6(4-7(8)13)9(10,11)5-12/h2-4,13H,5,12H2,1H3
InChIKeyBMCUDQKXMYIAFV-UHFFFAOYSA-N
MW203.19 g/mol
LogP1.45
Rot. Bonds3

About 5-(2-amino-1,1-difluoroethyl)-2-methoxyphenol

5-(2-amino-1,1-difluoroethyl)-2-methoxyphenol (PubChem CID 105425996) has the molecular formula C9H11F2NO2 and a molecular weight of 203.19 g/mol. Its IUPAC name is 5-(2-amino-1,1-difluoroethyl)-2-methoxyphenol.

Molecular Properties

Compound Name5-(2-amino-1,1-difluoroethyl)-2-methoxyphenol
PubChem CID105425996
Molecular FormulaC9H11F2NO2
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC Name5-(2-amino-1,1-difluoroethyl)-2-methoxyphenol
SMILESCOc1ccc(C(F)(F)CN)cc1O
InChIInChI=1S/C9H11F2NO2/c1-14-8-3-2-6(4-7(8)13)9(10,11)5-12/h2-4,13H,5,12H2,1H3
InChIKeyBMCUDQKXMYIAFV-UHFFFAOYSA-N
XLogP1.45
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-fluoro-1-(methylamino)propan-2-yl]-2-methoxyphenol
CID 105425995
2-methoxy-5-(2-methylpentan-2-yl)phenol
CID 23093288
5-(aminomethyl)-2-methoxyphenol
CID 1132998
N-(3-amino-2,2-difluoropropyl)-3-hydroxy-4-methoxybenzamide
CID 114383634
5-[(1R)-1-amino-2,2,2-trifluoroethyl]-2-methoxyphenol
CID 66511017
3-(3-bromo-4-methoxyphenyl)-3,3-difluoropropanoic acid
CID 116838347
3-(1-amino-2-fluoropropan-2-yl)-4-methoxyphenol
CID 105425939
5-(2-aminoethyl)-2-methoxyphenol chloride
CID 53313231
2-(3-hydroxy-4-methoxyphenyl)-2,3-dimethylbutanoic acid
CID 83842745
4-(2-fluoropropan-2-yl)-2-methoxyphenol
CID 84659603
4-(1-amino-2-fluoropropan-2-yl)benzene-1,2-diol
CID 105425989
5-(3-aminopropyl)-2-methoxyphenol
CID 55265877

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-1,1-difluoroethyl)-2-methoxyphenol?
The IUPAC name of 5-(2-amino-1,1-difluoroethyl)-2-methoxyphenol (CID 105425996) is 5-(2-amino-1,1-difluoroethyl)-2-methoxyphenol.
What is the SMILES notation for 5-(2-amino-1,1-difluoroethyl)-2-methoxyphenol?
The canonical SMILES for 5-(2-amino-1,1-difluoroethyl)-2-methoxyphenol is COc1ccc(C(F)(F)CN)cc1O.
What is the InChIKey of 5-(2-amino-1,1-difluoroethyl)-2-methoxyphenol?
The InChIKey is BMCUDQKXMYIAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO2/c1-14-8-3-2-6(4-7(8)13)9(10,11)5-12/h2-4,13H,5,12H2,1H3.
What are the key properties of 5-(2-amino-1,1-difluoroethyl)-2-methoxyphenol?
5-(2-amino-1,1-difluoroethyl)-2-methoxyphenol has a molecular weight of 203.19 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-1,1-difluoroethyl)-2-methoxyphenol is sourced from PubChem (CID 105425996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).