(2-amino-3-fluorophenyl)-(4-hydroxyphenyl)methanone

C13H10FNO2 — CID 105489005

IUPAC(2-amino-3-fluorophenyl)-(4-hydroxyphenyl)methanone
SMILESNc1c(F)cccc1C(=O)c1ccc(O)cc1
InChIInChI=1S/C13H10FNO2/c14-11-3-1-2-10(12(11)15)13(17)8-4-6-9(16)7-5-8/h1-7,16H,15H2
InChIKeyGSOROXKNPCSRRT-UHFFFAOYSA-N
MW231.23 g/mol
LogP2.34
Rot. Bonds2

About (2-amino-3-fluorophenyl)-(4-hydroxyphenyl)methanone

(2-amino-3-fluorophenyl)-(4-hydroxyphenyl)methanone (PubChem CID 105489005) has the molecular formula C13H10FNO2 and a molecular weight of 231.23 g/mol. Its IUPAC name is (2-amino-3-fluorophenyl)-(4-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(2-amino-3-fluorophenyl)-(4-hydroxyphenyl)methanone
PubChem CID105489005
Molecular FormulaC13H10FNO2
Molecular Weight231.23 g/mol
Exact Mass231.07
IUPAC Name(2-amino-3-fluorophenyl)-(4-hydroxyphenyl)methanone
SMILESNc1c(F)cccc1C(=O)c1ccc(O)cc1
InChIInChI=1S/C13H10FNO2/c14-11-3-1-2-10(12(11)15)13(17)8-4-6-9(16)7-5-8/h1-7,16H,15H2
InChIKeyGSOROXKNPCSRRT-UHFFFAOYSA-N
XLogP2.34
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2-fluorophenyl)-(4-hydroxyphenyl)methanone
CID 2783235
(2-amino-3-fluorophenyl)-pyrimidin-5-ylmethanone
CID 116597591
(2-amino-3-fluorophenyl)-(3-chlorophenyl)methanone
CID 90087855
(2-amino-3-chlorophenyl)-(4-chlorophenyl)methanone
CID 15634745
(2-amino-3-fluorophenyl)-(3-ethoxyphenyl)methanone
CID 116597765
(3-fluoro-2-hydroxyphenyl)-phenylmethanone
CID 10512885
(2-amino-5-hydroxyphenyl)-(4-fluorophenyl)methanone
CID 105489008
(2-amino-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102756910
(2-amino-3-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
CID 102648445
(2-amino-3-fluorophenyl)-(5-chlorothiophen-2-yl)methanone
CID 116597564
2-amino-3-fluoro-N-methylsulfonylbenzamide
CID 103287711
(2-amino-3-methylphenyl)-(4-methylphenyl)methanone
CID 22285788

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-fluorophenyl)-(4-hydroxyphenyl)methanone?
The IUPAC name of (2-amino-3-fluorophenyl)-(4-hydroxyphenyl)methanone (CID 105489005) is (2-amino-3-fluorophenyl)-(4-hydroxyphenyl)methanone.
What is the SMILES notation for (2-amino-3-fluorophenyl)-(4-hydroxyphenyl)methanone?
The canonical SMILES for (2-amino-3-fluorophenyl)-(4-hydroxyphenyl)methanone is Nc1c(F)cccc1C(=O)c1ccc(O)cc1.
What is the InChIKey of (2-amino-3-fluorophenyl)-(4-hydroxyphenyl)methanone?
The InChIKey is GSOROXKNPCSRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO2/c14-11-3-1-2-10(12(11)15)13(17)8-4-6-9(16)7-5-8/h1-7,16H,15H2.
What are the key properties of (2-amino-3-fluorophenyl)-(4-hydroxyphenyl)methanone?
(2-amino-3-fluorophenyl)-(4-hydroxyphenyl)methanone has a molecular weight of 231.23 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-fluorophenyl)-(4-hydroxyphenyl)methanone is sourced from PubChem (CID 105489005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).