4-amino-2-fluorophenol;carbon dioxide

C7H6FNO3 — CID 160625037

IUPAC4-amino-2-fluorophenol;carbon dioxide
SMILESNc1ccc(O)c(F)c1.O=C=O
InChIInChI=1S/C6H6FNO.CO2/c7-5-3-4(8)1-2-6(5)9;2-1-3/h1-3,9H,8H2;
InChIKeyRHEONFLCIGSDMJ-UHFFFAOYSA-N
MW171.13 g/mol
LogP0.53
Rot. Bonds

About 4-amino-2-fluorophenol;carbon dioxide

4-amino-2-fluorophenol;carbon dioxide (PubChem CID 160625037) has the molecular formula C7H6FNO3 and a molecular weight of 171.13 g/mol. Its IUPAC name is 4-amino-2-fluorophenol;carbon dioxide.

Molecular Properties

Compound Name4-amino-2-fluorophenol;carbon dioxide
PubChem CID160625037
Molecular FormulaC7H6FNO3
Molecular Weight171.13 g/mol
Exact Mass171.03
IUPAC Name4-amino-2-fluorophenol;carbon dioxide
SMILESNc1ccc(O)c(F)c1.O=C=O
InChIInChI=1S/C6H6FNO.CO2/c7-5-3-4(8)1-2-6(5)9;2-1-3/h1-3,9H,8H2;
InChIKeyRHEONFLCIGSDMJ-UHFFFAOYSA-N
XLogP0.53
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.13
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-fluorophenol;phenol
CID 161491150
carbon dioxide;4-ethyl-3-fluoroaniline
CID 158926193
5-amino-3-fluoro-2-hydroxycyclohepta-2,4,6-trien-1-one
CID 171365116
5-amino-2-(2-fluorophenyl)phenol
CID 22023317
2-fluoro-4-(3-fluoro-4-hydroxyphenyl)phenol
CID 520956
2-amino-4-chlorophenol;carbon dioxide
CID 160735272
1-(4-amino-2-fluorophenyl)ethanone
CID 14621110
3-(3-fluoro-4-hydroxyphenyl)prop-1-en-1-one
CID 90805004
carbamoyl 4-amino-2-fluorobenzoate
CID 88539668
1-(4-amino-2-fluorophenyl)ethanone;hydrochloride
CID 118817764
5-amino-2-(2,4-difluorophenyl)phenol
CID 171391098
2-fluorobenzene-1,4-diol;phosphoric acid
CID 131985559

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-fluorophenol;carbon dioxide?
The IUPAC name of 4-amino-2-fluorophenol;carbon dioxide (CID 160625037) is 4-amino-2-fluorophenol;carbon dioxide.
What is the SMILES notation for 4-amino-2-fluorophenol;carbon dioxide?
The canonical SMILES for 4-amino-2-fluorophenol;carbon dioxide is Nc1ccc(O)c(F)c1.O=C=O.
What is the InChIKey of 4-amino-2-fluorophenol;carbon dioxide?
The InChIKey is RHEONFLCIGSDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FNO.CO2/c7-5-3-4(8)1-2-6(5)9;2-1-3/h1-3,9H,8H2;.
What are the key properties of 4-amino-2-fluorophenol;carbon dioxide?
4-amino-2-fluorophenol;carbon dioxide has a molecular weight of 171.13 g/mol, XLogP of 0.53, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-fluorophenol;carbon dioxide is sourced from PubChem (CID 160625037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).