1-(3-chlorophenyl)-3-hydroxy-2-(2,2,2-trifluoroethyl)guanidine

C9H9ClF3N3O — CID 142736006

IUPAC1-(3-chlorophenyl)-3-hydroxy-2-(2,2,2-trifluoroethyl)guanidine
SMILESON/C(=N\CC(F)(F)F)Nc1cccc(Cl)c1
InChIInChI=1S/C9H9ClF3N3O/c10-6-2-1-3-7(4-6)15-8(16-17)14-5-9(11,12)13/h1-4,17H,5H2,(H2,14,15,16)
InChIKeyFXURPARRCVKQDW-UHFFFAOYSA-N
MW267.64 g/mol
LogP2.65
Rot. Bonds2

About 1-(3-chlorophenyl)-3-hydroxy-2-(2,2,2-trifluoroethyl)guanidine

1-(3-chlorophenyl)-3-hydroxy-2-(2,2,2-trifluoroethyl)guanidine (PubChem CID 142736006) has the molecular formula C9H9ClF3N3O and a molecular weight of 267.64 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-hydroxy-2-(2,2,2-trifluoroethyl)guanidine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-hydroxy-2-(2,2,2-trifluoroethyl)guanidine
PubChem CID142736006
Molecular FormulaC9H9ClF3N3O
Molecular Weight267.64 g/mol
Exact Mass267.04
IUPAC Name1-(3-chlorophenyl)-3-hydroxy-2-(2,2,2-trifluoroethyl)guanidine
SMILESON/C(=N\CC(F)(F)F)Nc1cccc(Cl)c1
InChIInChI=1S/C9H9ClF3N3O/c10-6-2-1-3-7(4-6)15-8(16-17)14-5-9(11,12)13/h1-4,17H,5H2,(H2,14,15,16)
InChIKeyFXURPARRCVKQDW-UHFFFAOYSA-N
XLogP2.65
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.64
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3-chlorophenyl)-3-hydroxy-2-(2,2,2-trifluoroethyl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chlorophenyl)-2,2-difluoro-3-iodopropanamide
CID 14154828
1-(3-chlorophenyl)-2-(2-ethylpyrazol-3-yl)-3-hydroxyguanidine
CID 24860939
(Z)-3-(3-chloroanilino)-N-(3-chlorophenyl)-4,4,4-trifluorobut-2-enamide
CID 110272456
N-(3-chlorophenyl)-2,2-bis(trifluoromethyl)butanamide
CID 3326093
N,N'-bis(3-chlorophenyl)ethane-1,2-diamine
CID 14274750
N-(3-chlorophenyl)-2-[2,3-dioxo-4-(2,2,2-trifluoroethyl)pyrazin-1-yl]acetamide
CID 172906489
2-[(3-chlorophenyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258723
N-(3-chlorophenyl)-2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetamide
CID 86861058
1-(3-chlorophenyl)-3-hydroxy-2-[3-(1,3-oxazol-5-yl)phenyl]guanidine
CID 24860997
(3-chlorophenyl)thiourea
CID 2734794
N,N'-bis(3-chlorophenyl)pentanediamide
CID 1011389
N-(3-chlorophenyl)-N'-[4-chloro-2-(trifluoromethyl)phenyl]propanediamide
CID 108954992

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-hydroxy-2-(2,2,2-trifluoroethyl)guanidine?
The IUPAC name of 1-(3-chlorophenyl)-3-hydroxy-2-(2,2,2-trifluoroethyl)guanidine (CID 142736006) is 1-(3-chlorophenyl)-3-hydroxy-2-(2,2,2-trifluoroethyl)guanidine.
What is the SMILES notation for 1-(3-chlorophenyl)-3-hydroxy-2-(2,2,2-trifluoroethyl)guanidine?
The canonical SMILES for 1-(3-chlorophenyl)-3-hydroxy-2-(2,2,2-trifluoroethyl)guanidine is ON/C(=N\CC(F)(F)F)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-hydroxy-2-(2,2,2-trifluoroethyl)guanidine?
The InChIKey is FXURPARRCVKQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3N3O/c10-6-2-1-3-7(4-6)15-8(16-17)14-5-9(11,12)13/h1-4,17H,5H2,(H2,14,15,16).
What are the key properties of 1-(3-chlorophenyl)-3-hydroxy-2-(2,2,2-trifluoroethyl)guanidine?
1-(3-chlorophenyl)-3-hydroxy-2-(2,2,2-trifluoroethyl)guanidine has a molecular weight of 267.64 g/mol, XLogP of 2.65, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-hydroxy-2-(2,2,2-trifluoroethyl)guanidine is sourced from PubChem (CID 142736006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).