(2-anilino-3,4-dioxocyclobuten-1-yl) hypofluorite

C10H6FNO3 — CID 142171537

IUPAC(2-anilino-3,4-dioxocyclobuten-1-yl) hypofluorite
SMILESO=c1c(Nc2ccccc2)c(OF)c1=O
InChIInChI=1S/C10H6FNO3/c11-15-10-7(8(13)9(10)14)12-6-4-2-1-3-5-6/h1-5,12H
InChIKeyCHYGIVRZRZWKBH-UHFFFAOYSA-N
MW207.16 g/mol
LogP1.29
Rot. Bonds3

About (2-anilino-3,4-dioxocyclobuten-1-yl) hypofluorite

(2-anilino-3,4-dioxocyclobuten-1-yl) hypofluorite (PubChem CID 142171537) has the molecular formula C10H6FNO3 and a molecular weight of 207.16 g/mol. Its IUPAC name is (2-anilino-3,4-dioxocyclobuten-1-yl) hypofluorite.

Molecular Properties

Compound Name(2-anilino-3,4-dioxocyclobuten-1-yl) hypofluorite
PubChem CID142171537
Molecular FormulaC10H6FNO3
Molecular Weight207.16 g/mol
Exact Mass207.03
IUPAC Name(2-anilino-3,4-dioxocyclobuten-1-yl) hypofluorite
SMILESO=c1c(Nc2ccccc2)c(OF)c1=O
InChIInChI=1S/C10H6FNO3/c11-15-10-7(8(13)9(10)14)12-6-4-2-1-3-5-6/h1-5,12H
InChIKeyCHYGIVRZRZWKBH-UHFFFAOYSA-N
XLogP1.29
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.16
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

3-ethoxy-4-(4-phenylanilino)cyclobut-3-ene-1,2-dione
CID 10780048
3-anilino-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione
CID 139778461
3-anilino-4-(4-bromoanilino)cyclobut-3-ene-1,2-dione
CID 46845357
3,6-difluoro-1-N,2-N,4-N,5-N-tetraphenylbenzene-1,2,4,5-tetramine
CID 101426182
2,6-difluoro-N-phenylaniline
CID 13387559
3-ethoxy-4-[3-(trifluoromethyl)anilino]cyclobut-3-ene-1,2-dione
CID 18473839
2,5-dianilino-3,6-difluorocyclohexa-2,5-diene-1,4-dione
CID 122225607
3-(4-bromoanilino)-4-ethoxycyclobut-3-ene-1,2-dione
CID 10517998
3-ethoxy-4-(4-ethylanilino)cyclobut-3-ene-1,2-dione
CID 20950383
3-ethoxy-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione
CID 10680319
azane;N-phenylaniline
CID 67074378
3-methoxy-4-(4-nitroanilino)cyclobut-3-ene-1,2-dione
CID 87433363

Frequently Asked Questions

What is the IUPAC name of (2-anilino-3,4-dioxocyclobuten-1-yl) hypofluorite?
The IUPAC name of (2-anilino-3,4-dioxocyclobuten-1-yl) hypofluorite (CID 142171537) is (2-anilino-3,4-dioxocyclobuten-1-yl) hypofluorite.
What is the SMILES notation for (2-anilino-3,4-dioxocyclobuten-1-yl) hypofluorite?
The canonical SMILES for (2-anilino-3,4-dioxocyclobuten-1-yl) hypofluorite is O=c1c(Nc2ccccc2)c(OF)c1=O.
What is the InChIKey of (2-anilino-3,4-dioxocyclobuten-1-yl) hypofluorite?
The InChIKey is CHYGIVRZRZWKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FNO3/c11-15-10-7(8(13)9(10)14)12-6-4-2-1-3-5-6/h1-5,12H.
What are the key properties of (2-anilino-3,4-dioxocyclobuten-1-yl) hypofluorite?
(2-anilino-3,4-dioxocyclobuten-1-yl) hypofluorite has a molecular weight of 207.16 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-3,4-dioxocyclobuten-1-yl) hypofluorite is sourced from PubChem (CID 142171537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).