azane;2,3,4,5,6-pentafluoroaniline

C6H5F5N2 — CID 172821602

IUPACazane;2,3,4,5,6-pentafluoroaniline
SMILESN.Nc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C6H2F5N.H3N/c7-1-2(8)4(10)6(12)5(11)3(1)9;/h12H2;1H3
InChIKeyUHMRXMWUZDXRTB-UHFFFAOYSA-N
MW200.11 g/mol
LogP2.13
Rot. Bonds

About azane;2,3,4,5,6-pentafluoroaniline

azane;2,3,4,5,6-pentafluoroaniline (PubChem CID 172821602) has the molecular formula C6H5F5N2 and a molecular weight of 200.11 g/mol. Its IUPAC name is azane;2,3,4,5,6-pentafluoroaniline.

Molecular Properties

Compound Nameazane;2,3,4,5,6-pentafluoroaniline
PubChem CID172821602
Molecular FormulaC6H5F5N2
Molecular Weight200.11 g/mol
Exact Mass200.04
IUPAC Nameazane;2,3,4,5,6-pentafluoroaniline
SMILESN.Nc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C6H2F5N.H3N/c7-1-2(8)4(10)6(12)5(11)3(1)9;/h12H2;1H3
InChIKeyUHMRXMWUZDXRTB-UHFFFAOYSA-N
XLogP2.13
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.11
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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

3-amino-2,4,5,6-tetrafluorophenol
CID 12558020
CID 174020290
CID 174020290
4-(3,4-diamino-2,5,6-trifluorophenyl)sulfanyl-3,5,6-trifluorobenzene-1,2-diamine
CID 71391291
2,3,4,5-tetrafluoro-6-hydrazinylaniline
CID 146620564
2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-iodophenyl)aniline
CID 130427136
2,3,5,6-tetrafluoropyridin-1-ium-4-amine
CID 135790014
3,4,5,6-tetrafluoro-2-N-methylbenzene-1,2-diamine
CID 146329780
2-amino-3,4,5,6-tetrafluorobenzoic acid
CID 139081576
4-[2-(4-amino-2,3,5,6-tetrafluorophenyl)-1,1,1,3,3,3-hexachloropropan-2-yl]-2,3,5,6-tetrafluoroaniline
CID 18365782
4-ethylsulfanyl-2,3,5,6-tetrafluoroaniline
CID 134575464
4-(dichloromethoxy)-2,3,5,6-tetrafluoroaniline
CID 140996627
1-(2-acetyl-6-amino-3,4,5-trifluorophenyl)ethanone
CID 87737254

Frequently Asked Questions

What is the IUPAC name of azane;2,3,4,5,6-pentafluoroaniline?
The IUPAC name of azane;2,3,4,5,6-pentafluoroaniline (CID 172821602) is azane;2,3,4,5,6-pentafluoroaniline.
What is the SMILES notation for azane;2,3,4,5,6-pentafluoroaniline?
The canonical SMILES for azane;2,3,4,5,6-pentafluoroaniline is N.Nc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of azane;2,3,4,5,6-pentafluoroaniline?
The InChIKey is UHMRXMWUZDXRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F5N.H3N/c7-1-2(8)4(10)6(12)5(11)3(1)9;/h12H2;1H3.
What are the key properties of azane;2,3,4,5,6-pentafluoroaniline?
azane;2,3,4,5,6-pentafluoroaniline has a molecular weight of 200.11 g/mol, XLogP of 2.13, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2,3,4,5,6-pentafluoroaniline is sourced from PubChem (CID 172821602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).