1-amino-2-propan-2-yl-3-(2,3,5,6-tetrafluorophenyl)guanidine

C10H12F4N4 — CID 107647406

IUPAC1-amino-2-propan-2-yl-3-(2,3,5,6-tetrafluorophenyl)guanidine
SMILESCC(C)/N=C(\NN)Nc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C10H12F4N4/c1-4(2)16-10(18-15)17-9-7(13)5(11)3-6(12)8(9)14/h3-4H,15H2,1-2H3,(H2,16,17,18)
InChIKeyNKBRAZKKOVEVOM-UHFFFAOYSA-N
MW264.23 g/mol
LogP1.88
Rot. Bonds2

About 1-amino-2-propan-2-yl-3-(2,3,5,6-tetrafluorophenyl)guanidine

1-amino-2-propan-2-yl-3-(2,3,5,6-tetrafluorophenyl)guanidine (PubChem CID 107647406) has the molecular formula C10H12F4N4 and a molecular weight of 264.23 g/mol. Its IUPAC name is 1-amino-2-propan-2-yl-3-(2,3,5,6-tetrafluorophenyl)guanidine.

Molecular Properties

Compound Name1-amino-2-propan-2-yl-3-(2,3,5,6-tetrafluorophenyl)guanidine
PubChem CID107647406
Molecular FormulaC10H12F4N4
Molecular Weight264.23 g/mol
Exact Mass264.10
IUPAC Name1-amino-2-propan-2-yl-3-(2,3,5,6-tetrafluorophenyl)guanidine
SMILESCC(C)/N=C(\NN)Nc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C10H12F4N4/c1-4(2)16-10(18-15)17-9-7(13)5(11)3-6(12)8(9)14/h3-4H,15H2,1-2H3,(H2,16,17,18)
InChIKeyNKBRAZKKOVEVOM-UHFFFAOYSA-N
XLogP1.88
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-propan-2-yl-3-(2,3,5,6-tetrafluorophenyl)guanidine?
The IUPAC name of 1-amino-2-propan-2-yl-3-(2,3,5,6-tetrafluorophenyl)guanidine (CID 107647406) is 1-amino-2-propan-2-yl-3-(2,3,5,6-tetrafluorophenyl)guanidine.
What is the SMILES notation for 1-amino-2-propan-2-yl-3-(2,3,5,6-tetrafluorophenyl)guanidine?
The canonical SMILES for 1-amino-2-propan-2-yl-3-(2,3,5,6-tetrafluorophenyl)guanidine is CC(C)/N=C(\NN)Nc1c(F)c(F)cc(F)c1F.
What is the InChIKey of 1-amino-2-propan-2-yl-3-(2,3,5,6-tetrafluorophenyl)guanidine?
The InChIKey is NKBRAZKKOVEVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F4N4/c1-4(2)16-10(18-15)17-9-7(13)5(11)3-6(12)8(9)14/h3-4H,15H2,1-2H3,(H2,16,17,18).
What are the key properties of 1-amino-2-propan-2-yl-3-(2,3,5,6-tetrafluorophenyl)guanidine?
1-amino-2-propan-2-yl-3-(2,3,5,6-tetrafluorophenyl)guanidine has a molecular weight of 264.23 g/mol, XLogP of 1.88, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-propan-2-yl-3-(2,3,5,6-tetrafluorophenyl)guanidine is sourced from PubChem (CID 107647406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).