1-amino-3-(2,3-difluorophenyl)-2-propan-2-ylguanidine

C10H14F2N4 — CID 116513741

IUPAC1-amino-3-(2,3-difluorophenyl)-2-propan-2-ylguanidine
SMILESCC(C)/N=C(\NN)Nc1cccc(F)c1F
InChIInChI=1S/C10H14F2N4/c1-6(2)14-10(16-13)15-8-5-3-4-7(11)9(8)12/h3-6H,13H2,1-2H3,(H2,14,15,16)
InChIKeyTUWMTNYSKWXKIF-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.60
Rot. Bonds2

About 1-amino-3-(2,3-difluorophenyl)-2-propan-2-ylguanidine

1-amino-3-(2,3-difluorophenyl)-2-propan-2-ylguanidine (PubChem CID 116513741) has the molecular formula C10H14F2N4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 1-amino-3-(2,3-difluorophenyl)-2-propan-2-ylguanidine.

Molecular Properties

Compound Name1-amino-3-(2,3-difluorophenyl)-2-propan-2-ylguanidine
PubChem CID116513741
Molecular FormulaC10H14F2N4
Molecular Weight228.25 g/mol
Exact Mass228.12
IUPAC Name1-amino-3-(2,3-difluorophenyl)-2-propan-2-ylguanidine
SMILESCC(C)/N=C(\NN)Nc1cccc(F)c1F
InChIInChI=1S/C10H14F2N4/c1-6(2)14-10(16-13)15-8-5-3-4-7(11)9(8)12/h3-6H,13H2,1-2H3,(H2,14,15,16)
InChIKeyTUWMTNYSKWXKIF-UHFFFAOYSA-N
XLogP1.60
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-3-(3-chloro-2-methylphenyl)-2-propan-2-ylguanidine
CID 116511708
1-amino-2-propan-2-yl-3-(2,3,5,6-tetrafluorophenyl)guanidine
CID 107647406
1-amino-3-(2,3-difluorophenyl)urea
CID 61075420
1-amino-3-(2-fluorophenyl)-2-(2-methylpropyl)guanidine
CID 116512402
2-amino-N-(2,3-difluorophenyl)-3-methylbutanamide;hydrochloride
CID 119280847
1-amino-3-(3-chloro-2-fluorophenyl)-2-methylguanidine
CID 116510720
2-propan-2-yl-1-(2,3,4-trifluorophenyl)guanidine
CID 62379789
N-(2,3-difluorophenyl)-4-hydroxypentanamide
CID 79193547
2-(2,3-difluoroanilino)propanamide
CID 61075391
2,3-difluoro-N-methylaniline
CID 50998712
N-(2,3-difluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide
CID 47457392
2-[(2,3-difluorophenyl)carbamoylamino]-3-methylbutanoic acid
CID 61207863

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2,3-difluorophenyl)-2-propan-2-ylguanidine?
The IUPAC name of 1-amino-3-(2,3-difluorophenyl)-2-propan-2-ylguanidine (CID 116513741) is 1-amino-3-(2,3-difluorophenyl)-2-propan-2-ylguanidine.
What is the SMILES notation for 1-amino-3-(2,3-difluorophenyl)-2-propan-2-ylguanidine?
The canonical SMILES for 1-amino-3-(2,3-difluorophenyl)-2-propan-2-ylguanidine is CC(C)/N=C(\NN)Nc1cccc(F)c1F.
What is the InChIKey of 1-amino-3-(2,3-difluorophenyl)-2-propan-2-ylguanidine?
The InChIKey is TUWMTNYSKWXKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N4/c1-6(2)14-10(16-13)15-8-5-3-4-7(11)9(8)12/h3-6H,13H2,1-2H3,(H2,14,15,16).
What are the key properties of 1-amino-3-(2,3-difluorophenyl)-2-propan-2-ylguanidine?
1-amino-3-(2,3-difluorophenyl)-2-propan-2-ylguanidine has a molecular weight of 228.25 g/mol, XLogP of 1.60, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2,3-difluorophenyl)-2-propan-2-ylguanidine is sourced from PubChem (CID 116513741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).