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

C8H8F4N4 — CID 107647404

IUPAC1-amino-2-methyl-3-(2,3,5,6-tetrafluorophenyl)guanidine
SMILESC/N=C(\NN)Nc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C8H8F4N4/c1-14-8(16-13)15-7-5(11)3(9)2-4(10)6(7)12/h2H,13H2,1H3,(H2,14,15,16)
InChIKeyHXEQCTYLBMQNKU-UHFFFAOYSA-N
MW236.17 g/mol
LogP1.10
Rot. Bonds1

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

1-amino-2-methyl-3-(2,3,5,6-tetrafluorophenyl)guanidine (PubChem CID 107647404) has the molecular formula C8H8F4N4 and a molecular weight of 236.17 g/mol. Its IUPAC name is 1-amino-2-methyl-3-(2,3,5,6-tetrafluorophenyl)guanidine.

Molecular Properties

Compound Name1-amino-2-methyl-3-(2,3,5,6-tetrafluorophenyl)guanidine
PubChem CID107647404
Molecular FormulaC8H8F4N4
Molecular Weight236.17 g/mol
Exact Mass236.07
IUPAC Name1-amino-2-methyl-3-(2,3,5,6-tetrafluorophenyl)guanidine
SMILESC/N=C(\NN)Nc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C8H8F4N4/c1-14-8(16-13)15-7-5(11)3(9)2-4(10)6(7)12/h2H,13H2,1H3,(H2,14,15,16)
InChIKeyHXEQCTYLBMQNKU-UHFFFAOYSA-N
XLogP1.10
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.17
LogP ≤ 51.10
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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Related Compounds

1-amino-2-propan-2-yl-3-(2,3,5,6-tetrafluorophenyl)guanidine
CID 107647406
1-amino-3-(2,6-difluoro-3-methylphenyl)-2-methylguanidine
CID 116510996
2-methyl-1-(2,3,5,6-tetrafluorophenyl)guanidine
CID 107645980
1-amino-3-(5-bromo-2-fluorophenyl)-2-methylguanidine
CID 116510775
1-amino-3-(2,6-dimethylphenyl)-2-methylguanidine
CID 116510703
1-amino-3-(4-fluoro-3-methoxyphenyl)-2-methylguanidine
CID 114841239
1-amino-3-(3-chloro-2-fluorophenyl)-2-methylguanidine
CID 116510720
1-amino-3-(4-ethoxy-3-fluorophenyl)-2-methylguanidine
CID 116511010
1-amino-3-(2-chloro-6-methylphenyl)-2-methylguanidine
CID 116510963
1-amino-3-(3,5-dimethoxyphenyl)-2-methylguanidine
CID 116510653
N-(2,3,5,6-tetrafluorophenyl)carbamothioyl chloride
CID 135378873
1-amino-2,3-dimethylguanidine;hydrochloride
CID 14852961

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methyl-3-(2,3,5,6-tetrafluorophenyl)guanidine?
The IUPAC name of 1-amino-2-methyl-3-(2,3,5,6-tetrafluorophenyl)guanidine (CID 107647404) is 1-amino-2-methyl-3-(2,3,5,6-tetrafluorophenyl)guanidine.
What is the SMILES notation for 1-amino-2-methyl-3-(2,3,5,6-tetrafluorophenyl)guanidine?
The canonical SMILES for 1-amino-2-methyl-3-(2,3,5,6-tetrafluorophenyl)guanidine is C/N=C(\NN)Nc1c(F)c(F)cc(F)c1F.
What is the InChIKey of 1-amino-2-methyl-3-(2,3,5,6-tetrafluorophenyl)guanidine?
The InChIKey is HXEQCTYLBMQNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F4N4/c1-14-8(16-13)15-7-5(11)3(9)2-4(10)6(7)12/h2H,13H2,1H3,(H2,14,15,16).
What are the key properties of 1-amino-2-methyl-3-(2,3,5,6-tetrafluorophenyl)guanidine?
1-amino-2-methyl-3-(2,3,5,6-tetrafluorophenyl)guanidine has a molecular weight of 236.17 g/mol, XLogP of 1.10, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methyl-3-(2,3,5,6-tetrafluorophenyl)guanidine is sourced from PubChem (CID 107647404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).