2-amino-6-(1,1-difluoroethyl)phenol

C8H9F2NO — CID 84654556

IUPAC2-amino-6-(1,1-difluoroethyl)phenol
SMILESCC(F)(F)c1cccc(N)c1O
InChIInChI=1S/C8H9F2NO/c1-8(9,10)5-3-2-4-6(11)7(5)12/h2-4,12H,11H2,1H3
InChIKeySQJOSWSIDHOAIC-UHFFFAOYSA-N
MW173.16 g/mol
LogP2.09
Rot. Bonds1

About 2-amino-6-(1,1-difluoroethyl)phenol

2-amino-6-(1,1-difluoroethyl)phenol (PubChem CID 84654556) has the molecular formula C8H9F2NO and a molecular weight of 173.16 g/mol. Its IUPAC name is 2-amino-6-(1,1-difluoroethyl)phenol.

Molecular Properties

Compound Name2-amino-6-(1,1-difluoroethyl)phenol
PubChem CID84654556
Molecular FormulaC8H9F2NO
Molecular Weight173.16 g/mol
Exact Mass173.07
IUPAC Name2-amino-6-(1,1-difluoroethyl)phenol
SMILESCC(F)(F)c1cccc(N)c1O
InChIInChI=1S/C8H9F2NO/c1-8(9,10)5-3-2-4-6(11)7(5)12/h2-4,12H,11H2,1H3
InChIKeySQJOSWSIDHOAIC-UHFFFAOYSA-N
XLogP2.09
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.16
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-amino-6-(trifluoromethyl)phenol
CID 22272746
3-(1,1-difluoroethyl)-2-methylsulfanylaniline
CID 172605652
2-(2-aminoethyl)-6-(1,1-difluoroethyl)phenol
CID 84670019
2-amino-6-fluorophenol;hydrochloride
CID 174428630
2,6-ditert-butylphenol;hydrazine;hydrate
CID 174824895
2-[2-(1,1-difluoroethyl)phenyl]propan-2-ol
CID 84669438
3-amino-N-ethyl-2-hydroxybenzenesulfonamide
CID 101304003
2-amino-4-[2-[3-[2-[3-amino-4-hydroxy-5-(1,1,2,2,2-pentafluoroethyl)phenyl]propan-2-yl]phenyl]propan-2-yl]-6-(1,1,2,2,2-pentafluoroethyl)phenol
CID 139946506
2-tert-butylaniline
CID 159041627
2-N-methyl-3-(trifluoromethyl)benzene-1,2-diamine
CID 121415871
2-(trideuteriomethyl)-3-(trifluoromethyl)aniline
CID 46783174
3-(3-fluoropentan-3-yl)benzene-1,2-diamine
CID 22286916

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(1,1-difluoroethyl)phenol?
The IUPAC name of 2-amino-6-(1,1-difluoroethyl)phenol (CID 84654556) is 2-amino-6-(1,1-difluoroethyl)phenol.
What is the SMILES notation for 2-amino-6-(1,1-difluoroethyl)phenol?
The canonical SMILES for 2-amino-6-(1,1-difluoroethyl)phenol is CC(F)(F)c1cccc(N)c1O.
What is the InChIKey of 2-amino-6-(1,1-difluoroethyl)phenol?
The InChIKey is SQJOSWSIDHOAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO/c1-8(9,10)5-3-2-4-6(11)7(5)12/h2-4,12H,11H2,1H3.
What are the key properties of 2-amino-6-(1,1-difluoroethyl)phenol?
2-amino-6-(1,1-difluoroethyl)phenol has a molecular weight of 173.16 g/mol, XLogP of 2.09, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(1,1-difluoroethyl)phenol is sourced from PubChem (CID 84654556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).