2-amino-6-fluoro-4-(fluoromethyl)phenol

C7H7F2NO — CID 171811229

IUPAC2-amino-6-fluoro-4-(fluoromethyl)phenol
SMILESNc1cc(CF)cc(F)c1O
InChIInChI=1S/C7H7F2NO/c8-3-4-1-5(9)7(11)6(10)2-4/h1-2,11H,3,10H2
InChIKeySQRILGTVXTXERP-UHFFFAOYSA-N
MW159.13 g/mol
LogP1.58
Rot. Bonds1

About 2-amino-6-fluoro-4-(fluoromethyl)phenol

2-amino-6-fluoro-4-(fluoromethyl)phenol (PubChem CID 171811229) has the molecular formula C7H7F2NO and a molecular weight of 159.13 g/mol. Its IUPAC name is 2-amino-6-fluoro-4-(fluoromethyl)phenol.

Molecular Properties

Compound Name2-amino-6-fluoro-4-(fluoromethyl)phenol
PubChem CID171811229
Molecular FormulaC7H7F2NO
Molecular Weight159.13 g/mol
Exact Mass159.05
IUPAC Name2-amino-6-fluoro-4-(fluoromethyl)phenol
SMILESNc1cc(CF)cc(F)c1O
InChIInChI=1S/C7H7F2NO/c8-3-4-1-5(9)7(11)6(10)2-4/h1-2,11H,3,10H2
InChIKeySQRILGTVXTXERP-UHFFFAOYSA-N
XLogP1.58
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.13
LogP ≤ 51.58
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-4-[3-(3-amino-5-fluoro-4-hydroxyphenyl)pentan-3-yl]-6-fluorophenol
CID 139945854
6-amino-2,3,4-trifluorophenol
CID 19957203
(3,5-difluoro-4-hydroxyphenyl)methylazanium chloride
CID 10488096
2-amino-1-[2,3-difluoro-5-(fluoromethyl)phenyl]ethanol
CID 84672949
4-[(dimethylamino)methyl]-2,6-difluorophenol
CID 82977010
1-chloro-2,3-difluoro-5-(fluoromethyl)benzene
CID 23325936
2-amino-4-ethyl-6-fluorobenzoic acid
CID 146075343
5-(2-aminooxyethyl)-3-fluorobenzene-1,2-diol
CID 117280609
1,5-bis(3,5-difluoro-4-hydroxyphenyl)pentan-3-one
CID 141151688
1-chloro-3-fluoro-5-(fluoromethyl)-2-methylbenzene
CID 131073233
4-(ethylaminomethyl)-2,6-difluorophenol
CID 79832688
2,6-difluoro-4-[[methyl(3-methylbutan-2-yl)amino]methyl]phenol
CID 82976577

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-4-(fluoromethyl)phenol?
The IUPAC name of 2-amino-6-fluoro-4-(fluoromethyl)phenol (CID 171811229) is 2-amino-6-fluoro-4-(fluoromethyl)phenol.
What is the SMILES notation for 2-amino-6-fluoro-4-(fluoromethyl)phenol?
The canonical SMILES for 2-amino-6-fluoro-4-(fluoromethyl)phenol is Nc1cc(CF)cc(F)c1O.
What is the InChIKey of 2-amino-6-fluoro-4-(fluoromethyl)phenol?
The InChIKey is SQRILGTVXTXERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2NO/c8-3-4-1-5(9)7(11)6(10)2-4/h1-2,11H,3,10H2.
What are the key properties of 2-amino-6-fluoro-4-(fluoromethyl)phenol?
2-amino-6-fluoro-4-(fluoromethyl)phenol has a molecular weight of 159.13 g/mol, XLogP of 1.58, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-fluoro-4-(fluoromethyl)phenol is sourced from PubChem (CID 171811229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).