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

C6H7F2NO — CID 67861682

IUPAC6-amino-1,5-difluorocyclohexa-2,4-dien-1-ol
SMILESNC1C(F)=CC=CC1(O)F
InChIInChI=1S/C6H7F2NO/c7-4-2-1-3-6(8,10)5(4)9/h1-3,5,10H,9H2
InChIKeyMNBMIHHTGLNSJQ-UHFFFAOYSA-N
MW147.12 g/mol
LogP0.40
Rot. Bonds

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

6-amino-1,5-difluorocyclohexa-2,4-dien-1-ol (PubChem CID 67861682) has the molecular formula C6H7F2NO and a molecular weight of 147.12 g/mol. Its IUPAC name is 6-amino-1,5-difluorocyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name6-amino-1,5-difluorocyclohexa-2,4-dien-1-ol
PubChem CID67861682
Molecular FormulaC6H7F2NO
Molecular Weight147.12 g/mol
Exact Mass147.05
IUPAC Name6-amino-1,5-difluorocyclohexa-2,4-dien-1-ol
SMILESNC1C(F)=CC=CC1(O)F
InChIInChI=1S/C6H7F2NO/c7-4-2-1-3-6(8,10)5(4)9/h1-3,5,10H,9H2
InChIKeyMNBMIHHTGLNSJQ-UHFFFAOYSA-N
XLogP0.40
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.12
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-Amino-2,6-difluorocyclohexa-1,5-dien-1-ol
CID 134477301
6-Amino-1,3-difluorocyclohexa-2,4-dien-1-ol
CID 152001294
6-Amino-3-chloro-1-fluorocyclohexa-2,4-dien-1-ol
CID 152166081
6-Amino-1-fluorocyclohexa-2,4-dien-1-ol
CID 153883490
6-Aminocyclohexa-2,4-diene-1,1-diol
CID 152749099

Frequently Asked Questions

What is the IUPAC name of 6-amino-1,5-difluorocyclohexa-2,4-dien-1-ol?
The IUPAC name of 6-amino-1,5-difluorocyclohexa-2,4-dien-1-ol (CID 67861682) is 6-amino-1,5-difluorocyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 6-amino-1,5-difluorocyclohexa-2,4-dien-1-ol?
The canonical SMILES for 6-amino-1,5-difluorocyclohexa-2,4-dien-1-ol is NC1C(F)=CC=CC1(O)F.
What is the InChIKey of 6-amino-1,5-difluorocyclohexa-2,4-dien-1-ol?
The InChIKey is MNBMIHHTGLNSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2NO/c7-4-2-1-3-6(8,10)5(4)9/h1-3,5,10H,9H2.
What are the key properties of 6-amino-1,5-difluorocyclohexa-2,4-dien-1-ol?
6-amino-1,5-difluorocyclohexa-2,4-dien-1-ol has a molecular weight of 147.12 g/mol, XLogP of 0.40, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1,5-difluorocyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 67861682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).