4-(fluoroamino)cyclohexa-1,5-dien-1-ol

C6H8FNO — CID 142075000

IUPAC4-(fluoroamino)cyclohexa-1,5-dien-1-ol
SMILESOC1=CCC(NF)C=C1
InChIInChI=1S/C6H8FNO/c7-8-5-1-3-6(9)4-2-5/h1,3-5,8-9H,2H2
InChIKeyZJOKXVMLOHWVRH-UHFFFAOYSA-N
MW129.13 g/mol
LogP1.23
Rot. Bonds1

About 4-(fluoroamino)cyclohexa-1,5-dien-1-ol

4-(fluoroamino)cyclohexa-1,5-dien-1-ol (PubChem CID 142075000) has the molecular formula C6H8FNO and a molecular weight of 129.13 g/mol. Its IUPAC name is 4-(fluoroamino)cyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name4-(fluoroamino)cyclohexa-1,5-dien-1-ol
PubChem CID142075000
Molecular FormulaC6H8FNO
Molecular Weight129.13 g/mol
Exact Mass129.06
IUPAC Name4-(fluoroamino)cyclohexa-1,5-dien-1-ol
SMILESOC1=CCC(NF)C=C1
InChIInChI=1S/C6H8FNO/c7-8-5-1-3-6(9)4-2-5/h1,3-5,8-9H,2H2
InChIKeyZJOKXVMLOHWVRH-UHFFFAOYSA-N
XLogP1.23
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.13
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Amino-2,6-difluorocyclohexa-1,5-dien-1-ol
CID 134477301
6-Amino-1-fluorocyclohexa-2,4-dien-1-ol
CID 153883490
(4R)-4-aminocyclohexa-1,5-dien-1-ol
CID 67126355
4-Aminocyclohexa-1,5-dien-1-ol
CID 68200165
4-Amino-2-chlorocyclohexa-1,5-dien-1-ol
CID 68200195
4-Hydroperoxycyclohexa-2,4-dien-1-amine
CID 89153689
4-Aminocyclohexa-2,6-diene-1,2-diol
CID 89153872
(4R)-4-(methylamino)cyclohexa-1,5-dien-1-ol
CID 89234266
(3R)-3-aminocyclohexa-1,5-dien-1-ol
CID 89469321
4-(Methylamino)cyclohexa-1,5-dien-1-ol
CID 118369981
5-Aminocyclohexa-1,3-diene-1,3-diol
CID 126489079
4-Amino-3-methylcyclohexa-1,5-dien-1-ol
CID 129115171

Frequently Asked Questions

What is the IUPAC name of 4-(fluoroamino)cyclohexa-1,5-dien-1-ol?
The IUPAC name of 4-(fluoroamino)cyclohexa-1,5-dien-1-ol (CID 142075000) is 4-(fluoroamino)cyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 4-(fluoroamino)cyclohexa-1,5-dien-1-ol?
The canonical SMILES for 4-(fluoroamino)cyclohexa-1,5-dien-1-ol is OC1=CCC(NF)C=C1.
What is the InChIKey of 4-(fluoroamino)cyclohexa-1,5-dien-1-ol?
The InChIKey is ZJOKXVMLOHWVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FNO/c7-8-5-1-3-6(9)4-2-5/h1,3-5,8-9H,2H2.
What are the key properties of 4-(fluoroamino)cyclohexa-1,5-dien-1-ol?
4-(fluoroamino)cyclohexa-1,5-dien-1-ol has a molecular weight of 129.13 g/mol, XLogP of 1.23, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoroamino)cyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 142075000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).