4-amino-2,6-difluorocyclohexa-1,5-dien-1-ol

C6H7F2NO — CID 134477301

IUPAC4-amino-2,6-difluorocyclohexa-1,5-dien-1-ol
SMILESNC1C=C(F)C(O)=C(F)C1
InChIInChI=1S/C6H7F2NO/c7-4-1-3(9)2-5(8)6(4)10/h1,3,10H,2,9H2
InChIKeyLKHMSIVOHSPYSU-UHFFFAOYSA-N
MW147.12 g/mol
LogP1.31
Rot. Bonds

About 4-amino-2,6-difluorocyclohexa-1,5-dien-1-ol

4-amino-2,6-difluorocyclohexa-1,5-dien-1-ol (PubChem CID 134477301) has the molecular formula C6H7F2NO and a molecular weight of 147.12 g/mol. Its IUPAC name is 4-amino-2,6-difluorocyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name4-amino-2,6-difluorocyclohexa-1,5-dien-1-ol
PubChem CID134477301
Molecular FormulaC6H7F2NO
Molecular Weight147.12 g/mol
Exact Mass147.05
IUPAC Name4-amino-2,6-difluorocyclohexa-1,5-dien-1-ol
SMILESNC1C=C(F)C(O)=C(F)C1
InChIInChI=1S/C6H7F2NO/c7-4-1-3(9)2-5(8)6(4)10/h1,3,10H,2,9H2
InChIKeyLKHMSIVOHSPYSU-UHFFFAOYSA-N
XLogP1.31
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.12
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-Amino-1,5-difluorocyclohexa-2,4-dien-1-ol
CID 67861682
4-(Fluoroamino)cyclohexa-1,5-dien-1-ol
CID 142075000
6-Amino-1,3-difluorocyclohexa-2,4-dien-1-ol
CID 152001294
3-Amino-4,6-difluoro-4-methylcyclohexa-1,5-dien-1-ol
CID 164132712
(2E,4E)-1-amino-3-fluorohepta-2,4-dien-4-ol
CID 156715069
(4R)-4-aminocyclohexa-1,5-dien-1-ol
CID 67126355
4-Aminocyclohexa-1,5-dien-1-ol
CID 68200165
4-Aminocyclohexa-2,6-diene-1,2-diol
CID 89153872
(3R)-3-aminocyclohexa-1,5-dien-1-ol
CID 89469321
(4S)-4-aminocyclohexa-1,5-dien-1-ol
CID 164058778

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-difluorocyclohexa-1,5-dien-1-ol?
The IUPAC name of 4-amino-2,6-difluorocyclohexa-1,5-dien-1-ol (CID 134477301) is 4-amino-2,6-difluorocyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 4-amino-2,6-difluorocyclohexa-1,5-dien-1-ol?
The canonical SMILES for 4-amino-2,6-difluorocyclohexa-1,5-dien-1-ol is NC1C=C(F)C(O)=C(F)C1.
What is the InChIKey of 4-amino-2,6-difluorocyclohexa-1,5-dien-1-ol?
The InChIKey is LKHMSIVOHSPYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2NO/c7-4-1-3(9)2-5(8)6(4)10/h1,3,10H,2,9H2.
What are the key properties of 4-amino-2,6-difluorocyclohexa-1,5-dien-1-ol?
4-amino-2,6-difluorocyclohexa-1,5-dien-1-ol has a molecular weight of 147.12 g/mol, XLogP of 1.31, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-difluorocyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 134477301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).