4-[amino-[(2Z,3E)-2,3-bis[amino-(4-amino-2,3,5,6-tetrafluorophenyl)methylidene]cyclopropylidene]methyl]-2,3,5,6-tetrafluorobenzonitrile

C25H10F12N6 — CID 135217039

IUPAC4-[amino-[(2Z,3E)-2,3-bis[amino-(4-amino-2,3,5,6-tetrafluorophenyl)methylidene]cyclopropylidene]methyl]-2,3,5,6-tetrafluorobenzonitrile
SMILESN#Cc1c(F)c(F)c(C(N)=C2C(=C(/N)c3c(F)c(F)c(N)c(F)c3F)/C2=C(\N)c2c(F)c(F)c(N)c(F)c2F)c(F)c1F
InChIInChI=1S/C25H10F12N6/c26-9-2(1-38)10(27)12(29)6(11(9)28)21(39)3-4(22(40)7-13(30)17(34)24(42)18(35)14(7)31)5(3)23(41)8-15(32)19(36)25(43)20(37)16(8)33/h39-43H2/b22-4-,23-5-
InChIKeyHQCRERNDIJRBBD-NRSZBASXSA-N
MW622.37 g/mol
LogP4.82
Rot. Bonds3

About 4-[amino-[(2Z,3E)-2,3-bis[amino-(4-amino-2,3,5,6-tetrafluorophenyl)methylidene]cyclopropylidene]methyl]-2,3,5,6-tetrafluorobenzonitrile

4-[amino-[(2Z,3E)-2,3-bis[amino-(4-amino-2,3,5,6-tetrafluorophenyl)methylidene]cyclopropylidene]methyl]-2,3,5,6-tetrafluorobenzonitrile (PubChem CID 135217039) has the molecular formula C25H10F12N6 and a molecular weight of 622.37 g/mol. Its IUPAC name is 4-[amino-[(2Z,3E)-2,3-bis[amino-(4-amino-2,3,5,6-tetrafluorophenyl)methylidene]cyclopropylidene]methyl]-2,3,5,6-tetrafluorobenzonitrile.

Molecular Properties

Compound Name4-[amino-[(2Z,3E)-2,3-bis[amino-(4-amino-2,3,5,6-tetrafluorophenyl)methylidene]cyclopropylidene]methyl]-2,3,5,6-tetrafluorobenzonitrile
PubChem CID135217039
Molecular FormulaC25H10F12N6
Molecular Weight622.37 g/mol
Exact Mass622.08
IUPAC Name4-[amino-[(2Z,3E)-2,3-bis[amino-(4-amino-2,3,5,6-tetrafluorophenyl)methylidene]cyclopropylidene]methyl]-2,3,5,6-tetrafluorobenzonitrile
SMILESN#Cc1c(F)c(F)c(C(N)=C2C(=C(/N)c3c(F)c(F)c(N)c(F)c3F)/C2=C(\N)c2c(F)c(F)c(N)c(F)c2F)c(F)c1F
InChIInChI=1S/C25H10F12N6/c26-9-2(1-38)10(27)12(29)6(11(9)28)21(39)3-4(22(40)7-13(30)17(34)24(42)18(35)14(7)31)5(3)23(41)8-15(32)19(36)25(43)20(37)16(8)33/h39-43H2/b22-4-,23-5-
InChIKeyHQCRERNDIJRBBD-NRSZBASXSA-N
XLogP4.82
TPSA153.89 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500622.37
LogP ≤ 54.82
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[amino-[(2Z,3E)-2,3-bis[amino-(4-amino-2,3,5,6-tetrafluorophenyl)methylidene]cyclopropylidene]methyl]-2,3,5,6-tetrafluorobenzonitrile?
The IUPAC name of 4-[amino-[(2Z,3E)-2,3-bis[amino-(4-amino-2,3,5,6-tetrafluorophenyl)methylidene]cyclopropylidene]methyl]-2,3,5,6-tetrafluorobenzonitrile (CID 135217039) is 4-[amino-[(2Z,3E)-2,3-bis[amino-(4-amino-2,3,5,6-tetrafluorophenyl)methylidene]cyclopropylidene]methyl]-2,3,5,6-tetrafluorobenzonitrile.
What is the SMILES notation for 4-[amino-[(2Z,3E)-2,3-bis[amino-(4-amino-2,3,5,6-tetrafluorophenyl)methylidene]cyclopropylidene]methyl]-2,3,5,6-tetrafluorobenzonitrile?
The canonical SMILES for 4-[amino-[(2Z,3E)-2,3-bis[amino-(4-amino-2,3,5,6-tetrafluorophenyl)methylidene]cyclopropylidene]methyl]-2,3,5,6-tetrafluorobenzonitrile is N#Cc1c(F)c(F)c(C(N)=C2C(=C(/N)c3c(F)c(F)c(N)c(F)c3F)/C2=C(\N)c2c(F)c(F)c(N)c(F)c2F)c(F)c1F.
What is the InChIKey of 4-[amino-[(2Z,3E)-2,3-bis[amino-(4-amino-2,3,5,6-tetrafluorophenyl)methylidene]cyclopropylidene]methyl]-2,3,5,6-tetrafluorobenzonitrile?
The InChIKey is HQCRERNDIJRBBD-NRSZBASXSA-N. The full InChI is InChI=1S/C25H10F12N6/c26-9-2(1-38)10(27)12(29)6(11(9)28)21(39)3-4(22(40)7-13(30)17(34)24(42)18(35)14(7)31)5(3)23(41)8-15(32)19(36)25(43)20(37)16(8)33/h39-43H2/b22-4-,23-5-.
What are the key properties of 4-[amino-[(2Z,3E)-2,3-bis[amino-(4-amino-2,3,5,6-tetrafluorophenyl)methylidene]cyclopropylidene]methyl]-2,3,5,6-tetrafluorobenzonitrile?
4-[amino-[(2Z,3E)-2,3-bis[amino-(4-amino-2,3,5,6-tetrafluorophenyl)methylidene]cyclopropylidene]methyl]-2,3,5,6-tetrafluorobenzonitrile has a molecular weight of 622.37 g/mol, XLogP of 4.82, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino-[(2Z,3E)-2,3-bis[amino-(4-amino-2,3,5,6-tetrafluorophenyl)methylidene]cyclopropylidene]methyl]-2,3,5,6-tetrafluorobenzonitrile is sourced from PubChem (CID 135217039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).