(4-aminocyclohexa-1,3-dien-1-yl) hypofluorite

C6H8FNO — CID 144590489

IUPAC(4-aminocyclohexa-1,3-dien-1-yl) hypofluorite
SMILESNC1=CC=C(OF)CC1
InChIInChI=1S/C6H8FNO/c7-9-6-3-1-5(8)2-4-6/h1,3H,2,4,8H2
InChIKeyGIYFKRGJDAEZJJ-UHFFFAOYSA-N
MW129.13 g/mol
LogP1.41
Rot. Bonds1

About (4-aminocyclohexa-1,3-dien-1-yl) hypofluorite

(4-aminocyclohexa-1,3-dien-1-yl) hypofluorite (PubChem CID 144590489) has the molecular formula C6H8FNO and a molecular weight of 129.13 g/mol. Its IUPAC name is (4-aminocyclohexa-1,3-dien-1-yl) hypofluorite.

Molecular Properties

Compound Name(4-aminocyclohexa-1,3-dien-1-yl) hypofluorite
PubChem CID144590489
Molecular FormulaC6H8FNO
Molecular Weight129.13 g/mol
Exact Mass129.06
IUPAC Name(4-aminocyclohexa-1,3-dien-1-yl) hypofluorite
SMILESNC1=CC=C(OF)CC1
InChIInChI=1S/C6H8FNO/c7-9-6-3-1-5(8)2-4-6/h1,3H,2,4,8H2
InChIKeyGIYFKRGJDAEZJJ-UHFFFAOYSA-N
XLogP1.41
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.13
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(Trifluoromethoxy)cyclohexa-1,3-dien-1-amine
CID 89073763
5-Fluoro-4-methoxycyclohexa-1,3-dien-1-amine
CID 89154149
4-Amino-6-fluorocyclohexa-1,3-dien-1-ol
CID 118297290
3-Fluoro-4-methoxycyclohexa-1,3-dien-1-amine
CID 143206355
4-Amino-2-fluorocyclohexa-1,3-dien-1-ol
CID 144262840
4-Amino-3-fluorocyclohexa-1,3-dien-1-ol
CID 145611807
4-(Difluoromethoxy)cyclohexa-1,3-dien-1-amine
CID 153629789
4-Aminocyclohexa-1,3-dien-1-ol
CID 20556824
4-Amino-2-methylcyclohexa-1,3-dien-1-ol
CID 89152195
4-Methoxycyclohexa-1,3-dien-1-amine
CID 89153986
4-Aminocyclohexa-1,3-dien-1-ol;ethane
CID 141769449
(4-Hydroxycyclohexa-1,3-dien-1-yl)azanium
CID 142986038

Frequently Asked Questions

What is the IUPAC name of (4-aminocyclohexa-1,3-dien-1-yl) hypofluorite?
The IUPAC name of (4-aminocyclohexa-1,3-dien-1-yl) hypofluorite (CID 144590489) is (4-aminocyclohexa-1,3-dien-1-yl) hypofluorite.
What is the SMILES notation for (4-aminocyclohexa-1,3-dien-1-yl) hypofluorite?
The canonical SMILES for (4-aminocyclohexa-1,3-dien-1-yl) hypofluorite is NC1=CC=C(OF)CC1.
What is the InChIKey of (4-aminocyclohexa-1,3-dien-1-yl) hypofluorite?
The InChIKey is GIYFKRGJDAEZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FNO/c7-9-6-3-1-5(8)2-4-6/h1,3H,2,4,8H2.
What are the key properties of (4-aminocyclohexa-1,3-dien-1-yl) hypofluorite?
(4-aminocyclohexa-1,3-dien-1-yl) hypofluorite has a molecular weight of 129.13 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminocyclohexa-1,3-dien-1-yl) hypofluorite is sourced from PubChem (CID 144590489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).