1-(4-fluoro-2-hydroxycyclohexa-1,5-dien-1-yl)ethylideneazanide

C8H9FNO- — CID 143792240

IUPAC1-(4-fluoro-2-hydroxycyclohexa-1,5-dien-1-yl)ethylideneazanide
SMILESCC(=[N-])C1=C(O)CC(F)C=C1
InChIInChI=1S/C8H9FNO/c1-5(10)7-3-2-6(9)4-8(7)11/h2-3,6,11H,4H2,1H3/q-1
InChIKeyNHAQDXBQOWLYIE-UHFFFAOYSA-N
MW154.16 g/mol
LogP2.13
Rot. Bonds1

About 1-(4-fluoro-2-hydroxycyclohexa-1,5-dien-1-yl)ethylideneazanide

1-(4-fluoro-2-hydroxycyclohexa-1,5-dien-1-yl)ethylideneazanide (PubChem CID 143792240) has the molecular formula C8H9FNO- and a molecular weight of 154.16 g/mol. Its IUPAC name is 1-(4-fluoro-2-hydroxycyclohexa-1,5-dien-1-yl)ethylideneazanide.

Molecular Properties

Compound Name1-(4-fluoro-2-hydroxycyclohexa-1,5-dien-1-yl)ethylideneazanide
PubChem CID143792240
Molecular FormulaC8H9FNO-
Molecular Weight154.16 g/mol
Exact Mass154.07
IUPAC Name1-(4-fluoro-2-hydroxycyclohexa-1,5-dien-1-yl)ethylideneazanide
SMILESCC(=[N-])C1=C(O)CC(F)C=C1
InChIInChI=1S/C8H9FNO/c1-5(10)7-3-2-6(9)4-8(7)11/h2-3,6,11H,4H2,1H3/q-1
InChIKeyNHAQDXBQOWLYIE-UHFFFAOYSA-N
XLogP2.13
TPSA42.53 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-hydroxycyclohexa-1,5-dien-1-yl)ethylideneazanide?
The IUPAC name of 1-(4-fluoro-2-hydroxycyclohexa-1,5-dien-1-yl)ethylideneazanide (CID 143792240) is 1-(4-fluoro-2-hydroxycyclohexa-1,5-dien-1-yl)ethylideneazanide.
What is the SMILES notation for 1-(4-fluoro-2-hydroxycyclohexa-1,5-dien-1-yl)ethylideneazanide?
The canonical SMILES for 1-(4-fluoro-2-hydroxycyclohexa-1,5-dien-1-yl)ethylideneazanide is CC(=[N-])C1=C(O)CC(F)C=C1.
What is the InChIKey of 1-(4-fluoro-2-hydroxycyclohexa-1,5-dien-1-yl)ethylideneazanide?
The InChIKey is NHAQDXBQOWLYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FNO/c1-5(10)7-3-2-6(9)4-8(7)11/h2-3,6,11H,4H2,1H3/q-1.
What are the key properties of 1-(4-fluoro-2-hydroxycyclohexa-1,5-dien-1-yl)ethylideneazanide?
1-(4-fluoro-2-hydroxycyclohexa-1,5-dien-1-yl)ethylideneazanide has a molecular weight of 154.16 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-hydroxycyclohexa-1,5-dien-1-yl)ethylideneazanide is sourced from PubChem (CID 143792240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).