4-amino-6-(3-fluorophenyl)cyclohexa-2,4-dien-1-ol

C12H12FNO — CID 70837770

IUPAC4-amino-6-(3-fluorophenyl)cyclohexa-2,4-dien-1-ol
SMILESNC1=CC(c2cccc(F)c2)C(O)C=C1
InChIInChI=1S/C12H12FNO/c13-9-3-1-2-8(6-9)11-7-10(14)4-5-12(11)15/h1-7,11-12,15H,14H2
InChIKeyXJGASBYZRSAYKY-UHFFFAOYSA-N
MW205.23 g/mol
LogP1.68
Rot. Bonds1

About 4-amino-6-(3-fluorophenyl)cyclohexa-2,4-dien-1-ol

4-amino-6-(3-fluorophenyl)cyclohexa-2,4-dien-1-ol (PubChem CID 70837770) has the molecular formula C12H12FNO and a molecular weight of 205.23 g/mol. Its IUPAC name is 4-amino-6-(3-fluorophenyl)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name4-amino-6-(3-fluorophenyl)cyclohexa-2,4-dien-1-ol
PubChem CID70837770
Molecular FormulaC12H12FNO
Molecular Weight205.23 g/mol
Exact Mass205.09
IUPAC Name4-amino-6-(3-fluorophenyl)cyclohexa-2,4-dien-1-ol
SMILESNC1=CC(c2cccc(F)c2)C(O)C=C1
InChIInChI=1S/C12H12FNO/c13-9-3-1-2-8(6-9)11-7-10(14)4-5-12(11)15/h1-7,11-12,15H,14H2
InChIKeyXJGASBYZRSAYKY-UHFFFAOYSA-N
XLogP1.68
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(3-fluorophenyl)cyclohexa-2,4-dien-1-ol?
The IUPAC name of 4-amino-6-(3-fluorophenyl)cyclohexa-2,4-dien-1-ol (CID 70837770) is 4-amino-6-(3-fluorophenyl)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 4-amino-6-(3-fluorophenyl)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 4-amino-6-(3-fluorophenyl)cyclohexa-2,4-dien-1-ol is NC1=CC(c2cccc(F)c2)C(O)C=C1.
What is the InChIKey of 4-amino-6-(3-fluorophenyl)cyclohexa-2,4-dien-1-ol?
The InChIKey is XJGASBYZRSAYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO/c13-9-3-1-2-8(6-9)11-7-10(14)4-5-12(11)15/h1-7,11-12,15H,14H2.
What are the key properties of 4-amino-6-(3-fluorophenyl)cyclohexa-2,4-dien-1-ol?
4-amino-6-(3-fluorophenyl)cyclohexa-2,4-dien-1-ol has a molecular weight of 205.23 g/mol, XLogP of 1.68, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(3-fluorophenyl)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 70837770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).