3-amino-3-fluoro-6-methylcyclohexa-1,5-dien-1-ol

C7H10FNO — CID 69205426

IUPAC3-amino-3-fluoro-6-methylcyclohexa-1,5-dien-1-ol
SMILESCC1=CCC(N)(F)C=C1O
InChIInChI=1S/C7H10FNO/c1-5-2-3-7(8,9)4-6(5)10/h2,4,10H,3,9H2,1H3
InChIKeyKCAWETVTTBEPLA-UHFFFAOYSA-N
MW143.16 g/mol
LogP1.40
Rot. Bonds

About 3-amino-3-fluoro-6-methylcyclohexa-1,5-dien-1-ol

3-amino-3-fluoro-6-methylcyclohexa-1,5-dien-1-ol (PubChem CID 69205426) has the molecular formula C7H10FNO and a molecular weight of 143.16 g/mol. Its IUPAC name is 3-amino-3-fluoro-6-methylcyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name3-amino-3-fluoro-6-methylcyclohexa-1,5-dien-1-ol
PubChem CID69205426
Molecular FormulaC7H10FNO
Molecular Weight143.16 g/mol
Exact Mass143.07
IUPAC Name3-amino-3-fluoro-6-methylcyclohexa-1,5-dien-1-ol
SMILESCC1=CCC(N)(F)C=C1O
InChIInChI=1S/C7H10FNO/c1-5-2-3-7(8,9)4-6(5)10/h2,4,10H,3,9H2,1H3
InChIKeyKCAWETVTTBEPLA-UHFFFAOYSA-N
XLogP1.40
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.16
LogP ≤ 51.40
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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Related Compounds

4,4-Diamino-3-fluorocyclohexa-1,5-dien-1-ol
CID 70151927
6-Amino-1-fluoro-6-methylcyclohexa-2,4-dien-1-ol
CID 149826043
6-(Aminomethyl)-2-fluorocyclohexa-1,5-dien-1-ol
CID 143689296
2-Amino-4-methylbenzene-5-id-1-ol;yttrium
CID 57832769
2-Amino-4-methylbenzene-6-id-1-ol;yttrium
CID 58597155
4-Amino-2,6-dimethylbenzene-5-id-1-ol;yttrium
CID 59839387
4-Amino-4-methylcyclohexa-1,5-dien-1-ol
CID 67750417
3-Amino-3-fluoro-6-methylcyclohexa-1,5-dien-1-ol;sulfuric acid
CID 69205425
1-Amino-4-methylcyclohexa-2,4-dien-1-ol
CID 141564938
3-Amino-3-methylcyclohexa-1,5-dien-1-ol
CID 147688389

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-fluoro-6-methylcyclohexa-1,5-dien-1-ol?
The IUPAC name of 3-amino-3-fluoro-6-methylcyclohexa-1,5-dien-1-ol (CID 69205426) is 3-amino-3-fluoro-6-methylcyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 3-amino-3-fluoro-6-methylcyclohexa-1,5-dien-1-ol?
The canonical SMILES for 3-amino-3-fluoro-6-methylcyclohexa-1,5-dien-1-ol is CC1=CCC(N)(F)C=C1O.
What is the InChIKey of 3-amino-3-fluoro-6-methylcyclohexa-1,5-dien-1-ol?
The InChIKey is KCAWETVTTBEPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FNO/c1-5-2-3-7(8,9)4-6(5)10/h2,4,10H,3,9H2,1H3.
What are the key properties of 3-amino-3-fluoro-6-methylcyclohexa-1,5-dien-1-ol?
3-amino-3-fluoro-6-methylcyclohexa-1,5-dien-1-ol has a molecular weight of 143.16 g/mol, XLogP of 1.40, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-fluoro-6-methylcyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 69205426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).