4-(1-amino-2,2-difluoroethyl)-2-bromo-6-methoxyphenol

C9H10BrF2NO2 — CID 130062366

IUPAC4-(1-amino-2,2-difluoroethyl)-2-bromo-6-methoxyphenol
SMILESCOc1cc(C(N)C(F)F)cc(Br)c1O
InChIInChI=1S/C9H10BrF2NO2/c1-15-6-3-4(7(13)9(11)12)2-5(10)8(6)14/h2-3,7,9,14H,13H2,1H3
InChIKeyWWTHFEUIDTXIDM-UHFFFAOYSA-N
MW282.08 g/mol
LogP2.43
Rot. Bonds3

About 4-(1-amino-2,2-difluoroethyl)-2-bromo-6-methoxyphenol

4-(1-amino-2,2-difluoroethyl)-2-bromo-6-methoxyphenol (PubChem CID 130062366) has the molecular formula C9H10BrF2NO2 and a molecular weight of 282.08 g/mol. Its IUPAC name is 4-(1-amino-2,2-difluoroethyl)-2-bromo-6-methoxyphenol.

Molecular Properties

Compound Name4-(1-amino-2,2-difluoroethyl)-2-bromo-6-methoxyphenol
PubChem CID130062366
Molecular FormulaC9H10BrF2NO2
Molecular Weight282.08 g/mol
Exact Mass280.99
IUPAC Name4-(1-amino-2,2-difluoroethyl)-2-bromo-6-methoxyphenol
SMILESCOc1cc(C(N)C(F)F)cc(Br)c1O
InChIInChI=1S/C9H10BrF2NO2/c1-15-6-3-4(7(13)9(11)12)2-5(10)8(6)14/h2-3,7,9,14H,13H2,1H3
InChIKeyWWTHFEUIDTXIDM-UHFFFAOYSA-N
XLogP2.43
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.08
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(1-amino-2,2-difluoroethyl)-2-bromo-6-methoxyphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(1S)-1-amino-2,2-difluoroethyl]-2,6-dibromophenol
CID 131086526
4-[(1S)-1-amino-2,2,2-trifluoroethyl]-2-bromo-6-methoxyphenol
CID 66512189
4-[(1S)-1-amino-2,2-difluoroethyl]-2-chloro-6-methoxyphenol;hydrochloride
CID 171251487
4-[(1S)-1-amino-3-hydroxypropyl]-2-bromo-6-methoxyphenol
CID 171226166
4-[(1S)-1-amino-3,3,3-trifluoropropyl]-2-bromo-6-methoxyphenol;hydrochloride
CID 171226138
2-bromo-4-[(1S)-1,4-diaminobutyl]-6-methoxyphenol
CID 171226118
4-[(1S)-1-amino-4-methylpentyl]-2-bromo-6-methoxyphenol;hydrochloride
CID 171226160
4-[(1R)-1-aminohexyl]-2-bromo-6-methoxyphenol
CID 171206557
4-[(S)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2-bromo-6-methoxyphenol
CID 171241821
4-[(1R)-1-amino-3-methylbut-3-enyl]-2-bromo-6-methoxyphenol;hydrochloride
CID 171206582
4-[(1R)-1-aminopent-4-enyl]-2-bromo-6-methoxyphenol
CID 171206579
4-[(1S)-1-aminopent-4-enyl]-2-bromo-6-methoxyphenol
CID 171226153

Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-2,2-difluoroethyl)-2-bromo-6-methoxyphenol?
The IUPAC name of 4-(1-amino-2,2-difluoroethyl)-2-bromo-6-methoxyphenol (CID 130062366) is 4-(1-amino-2,2-difluoroethyl)-2-bromo-6-methoxyphenol.
What is the SMILES notation for 4-(1-amino-2,2-difluoroethyl)-2-bromo-6-methoxyphenol?
The canonical SMILES for 4-(1-amino-2,2-difluoroethyl)-2-bromo-6-methoxyphenol is COc1cc(C(N)C(F)F)cc(Br)c1O.
What is the InChIKey of 4-(1-amino-2,2-difluoroethyl)-2-bromo-6-methoxyphenol?
The InChIKey is WWTHFEUIDTXIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrF2NO2/c1-15-6-3-4(7(13)9(11)12)2-5(10)8(6)14/h2-3,7,9,14H,13H2,1H3.
What are the key properties of 4-(1-amino-2,2-difluoroethyl)-2-bromo-6-methoxyphenol?
4-(1-amino-2,2-difluoroethyl)-2-bromo-6-methoxyphenol has a molecular weight of 282.08 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-amino-2,2-difluoroethyl)-2-bromo-6-methoxyphenol is sourced from PubChem (CID 130062366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).