5-amino-7-fluorocyclohepta-1,4,6-trien-1-ol

C7H8FNO — CID 156715066

IUPAC5-amino-7-fluorocyclohepta-1,4,6-trien-1-ol
SMILESNC1=CCC=C(O)C(F)=C1
InChIInChI=1S/C7H8FNO/c8-6-4-5(9)2-1-3-7(6)10/h2-4,10H,1,9H2
InChIKeyZMPYRQMCYAWXLH-UHFFFAOYSA-N
MW141.14 g/mol
LogP1.53
Rot. Bonds

About 5-amino-7-fluorocyclohepta-1,4,6-trien-1-ol

5-amino-7-fluorocyclohepta-1,4,6-trien-1-ol (PubChem CID 156715066) has the molecular formula C7H8FNO and a molecular weight of 141.14 g/mol. Its IUPAC name is 5-amino-7-fluorocyclohepta-1,4,6-trien-1-ol.

Molecular Properties

Compound Name5-amino-7-fluorocyclohepta-1,4,6-trien-1-ol
PubChem CID156715066
Molecular FormulaC7H8FNO
Molecular Weight141.14 g/mol
Exact Mass141.06
IUPAC Name5-amino-7-fluorocyclohepta-1,4,6-trien-1-ol
SMILESNC1=CCC=C(O)C(F)=C1
InChIInChI=1S/C7H8FNO/c8-6-4-5(9)2-1-3-7(6)10/h2-4,10H,1,9H2
InChIKeyZMPYRQMCYAWXLH-UHFFFAOYSA-N
XLogP1.53
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.14
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3E)-5-amino-3-fluorohexa-1,3,5-trien-2-ol
CID 143436396
2-Amino-5-fluorocyclohexa-1,5-dien-1-ol
CID 144854866
6-Amino-4-fluorocyclohexa-1,5-dien-1-ol
CID 164109483
(3E)-5-amino-3-(fluoromethyl)hexa-1,3,5-trien-2-ol
CID 142544255
5-Aminocyclohexa-1,5-dien-1-ol
CID 68302232
5-Aminocyclohepta-1,4,6-trien-1-ol
CID 138741221
6-Amino-3,3-dimethylcyclohepta-1,4,6-trien-1-ol
CID 142014773
6-Aminocyclohepta-1,4,6-trien-1-ol
CID 142195841
4-Aminocyclopenta-1,4-dien-1-ol
CID 163712824
4-Aminocyclohepta-1,4,6-trien-1-ol
CID 164076489
CID 101117842
CID 101117842
CID 101117843
CID 101117843

Frequently Asked Questions

What is the IUPAC name of 5-amino-7-fluorocyclohepta-1,4,6-trien-1-ol?
The IUPAC name of 5-amino-7-fluorocyclohepta-1,4,6-trien-1-ol (CID 156715066) is 5-amino-7-fluorocyclohepta-1,4,6-trien-1-ol.
What is the SMILES notation for 5-amino-7-fluorocyclohepta-1,4,6-trien-1-ol?
The canonical SMILES for 5-amino-7-fluorocyclohepta-1,4,6-trien-1-ol is NC1=CCC=C(O)C(F)=C1.
What is the InChIKey of 5-amino-7-fluorocyclohepta-1,4,6-trien-1-ol?
The InChIKey is ZMPYRQMCYAWXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO/c8-6-4-5(9)2-1-3-7(6)10/h2-4,10H,1,9H2.
What are the key properties of 5-amino-7-fluorocyclohepta-1,4,6-trien-1-ol?
5-amino-7-fluorocyclohepta-1,4,6-trien-1-ol has a molecular weight of 141.14 g/mol, XLogP of 1.53, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-7-fluorocyclohepta-1,4,6-trien-1-ol is sourced from PubChem (CID 156715066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).