6-amino-2-chloro-6-fluorocyclohexa-2,4-dien-1-ol

C6H7ClFNO — CID 150920675

IUPAC6-amino-2-chloro-6-fluorocyclohexa-2,4-dien-1-ol
SMILESNC1(F)C=CC=C(Cl)C1O
InChIInChI=1S/C6H7ClFNO/c7-4-2-1-3-6(8,9)5(4)10/h1-3,5,10H,9H2
InChIKeyLDYQDOHNKGPMDR-UHFFFAOYSA-N
MW163.58 g/mol
LogP0.66
Rot. Bonds

About 6-amino-2-chloro-6-fluorocyclohexa-2,4-dien-1-ol

6-amino-2-chloro-6-fluorocyclohexa-2,4-dien-1-ol (PubChem CID 150920675) has the molecular formula C6H7ClFNO and a molecular weight of 163.58 g/mol. Its IUPAC name is 6-amino-2-chloro-6-fluorocyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name6-amino-2-chloro-6-fluorocyclohexa-2,4-dien-1-ol
PubChem CID150920675
Molecular FormulaC6H7ClFNO
Molecular Weight163.58 g/mol
Exact Mass163.02
IUPAC Name6-amino-2-chloro-6-fluorocyclohexa-2,4-dien-1-ol
SMILESNC1(F)C=CC=C(Cl)C1O
InChIInChI=1S/C6H7ClFNO/c7-4-2-1-3-6(8,9)5(4)10/h1-3,5,10H,9H2
InChIKeyLDYQDOHNKGPMDR-UHFFFAOYSA-N
XLogP0.66
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.58
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-chloro-6-fluorocyclohexa-2,4-dien-1-ol?
The IUPAC name of 6-amino-2-chloro-6-fluorocyclohexa-2,4-dien-1-ol (CID 150920675) is 6-amino-2-chloro-6-fluorocyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 6-amino-2-chloro-6-fluorocyclohexa-2,4-dien-1-ol?
The canonical SMILES for 6-amino-2-chloro-6-fluorocyclohexa-2,4-dien-1-ol is NC1(F)C=CC=C(Cl)C1O.
What is the InChIKey of 6-amino-2-chloro-6-fluorocyclohexa-2,4-dien-1-ol?
The InChIKey is LDYQDOHNKGPMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClFNO/c7-4-2-1-3-6(8,9)5(4)10/h1-3,5,10H,9H2.
What are the key properties of 6-amino-2-chloro-6-fluorocyclohexa-2,4-dien-1-ol?
6-amino-2-chloro-6-fluorocyclohexa-2,4-dien-1-ol has a molecular weight of 163.58 g/mol, XLogP of 0.66, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-chloro-6-fluorocyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 150920675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).