1-azido-2,3,4,5,6,7,8-heptafluoronaphthalene

C10F7N3 — CID 91069544

IUPAC1-azido-2,3,4,5,6,7,8-heptafluoronaphthalene
SMILES[N-]=[N+]=Nc1c(F)c(F)c(F)c2c(F)c(F)c(F)c(F)c12
InChIInChI=1S/C10F7N3/c11-3-1-2(5(13)7(15)6(3)14)10(19-20-18)9(17)8(16)4(1)12
InChIKeyVCSFIMGRNBFCKD-UHFFFAOYSA-N
MW295.12 g/mol
LogP4.76
Rot. Bonds1

About 1-azido-2,3,4,5,6,7,8-heptafluoronaphthalene

1-azido-2,3,4,5,6,7,8-heptafluoronaphthalene (PubChem CID 91069544) has the molecular formula C10F7N3 and a molecular weight of 295.12 g/mol. Its IUPAC name is 1-azido-2,3,4,5,6,7,8-heptafluoronaphthalene.

Molecular Properties

Compound Name1-azido-2,3,4,5,6,7,8-heptafluoronaphthalene
PubChem CID91069544
Molecular FormulaC10F7N3
Molecular Weight295.12 g/mol
Exact Mass295.00
IUPAC Name1-azido-2,3,4,5,6,7,8-heptafluoronaphthalene
SMILES[N-]=[N+]=Nc1c(F)c(F)c(F)c2c(F)c(F)c(F)c(F)c12
InChIInChI=1S/C10F7N3/c11-3-1-2(5(13)7(15)6(3)14)10(19-20-18)9(17)8(16)4(1)12
InChIKeyVCSFIMGRNBFCKD-UHFFFAOYSA-N
XLogP4.76
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.12
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-azido-3,4,5,6-tetrafluorobenzaldehyde
CID 54024165
1-azido-2,3,4,5-tetrafluoro-6-nitrobenzene
CID 151071541
2-azido-1,3-difluoro-5-methylbenzene
CID 151145909
2-amino-1-(4-azido-2,3,5,6-tetrafluorophenyl)propan-1-one
CID 175094225
1-(4-azido-2,3,5,6-tetrafluorophenyl)-2-bromoethanone
CID 14642570
2-azido-1,3-difluoro-4-methoxybenzene
CID 150325663
4-azido-N-[2-[(4-azido-2,3,5,6-tetrafluorophenyl)sulfonylamino]ethyl]-2,3,5,6-tetrafluorobenzenesulfonamide
CID 58925536
triazido-(2,3,4,5,6-pentafluorophenyl)phosphanium
CID 23415155
1-azido-2,3,4,5,6-pentakis(trifluoromethyl)benzene
CID 151989480
N-(4-azido-2,3,5,6-tetrafluorophenyl)-N-[(2-methylpropan-2-yl)oxy]formamide
CID 71776600
2-(4-azido-2,3,5,6-tetrafluorophenyl)-5-tert-butyl-1,3-dithiane 1,1,3,3-tetraoxide
CID 10320427
[2,2-bis[(4-azido-2,3,5,6-tetrafluorobenzoyl)oxymethyl]-3-methoxypropyl] 4-azido-2,3,5,6-tetrafluorobenzoate
CID 170651353

Frequently Asked Questions

What is the IUPAC name of 1-azido-2,3,4,5,6,7,8-heptafluoronaphthalene?
The IUPAC name of 1-azido-2,3,4,5,6,7,8-heptafluoronaphthalene (CID 91069544) is 1-azido-2,3,4,5,6,7,8-heptafluoronaphthalene.
What is the SMILES notation for 1-azido-2,3,4,5,6,7,8-heptafluoronaphthalene?
The canonical SMILES for 1-azido-2,3,4,5,6,7,8-heptafluoronaphthalene is [N-]=[N+]=Nc1c(F)c(F)c(F)c2c(F)c(F)c(F)c(F)c12.
What is the InChIKey of 1-azido-2,3,4,5,6,7,8-heptafluoronaphthalene?
The InChIKey is VCSFIMGRNBFCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10F7N3/c11-3-1-2(5(13)7(15)6(3)14)10(19-20-18)9(17)8(16)4(1)12.
What are the key properties of 1-azido-2,3,4,5,6,7,8-heptafluoronaphthalene?
1-azido-2,3,4,5,6,7,8-heptafluoronaphthalene has a molecular weight of 295.12 g/mol, XLogP of 4.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-2,3,4,5,6,7,8-heptafluoronaphthalene is sourced from PubChem (CID 91069544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).