1-(2-chloro-5-fluorophenyl)-2-propan-2-ylguanidine

C10H13ClFN3 — CID 107531363

IUPAC1-(2-chloro-5-fluorophenyl)-2-propan-2-ylguanidine
SMILESCC(C)/N=C(\N)Nc1cc(F)ccc1Cl
InChIInChI=1S/C10H13ClFN3/c1-6(2)14-10(13)15-9-5-7(12)3-4-8(9)11/h3-6H,1-2H3,(H3,13,14,15)
InChIKeyGNUBQSGJLCUZCS-UHFFFAOYSA-N
MW229.69 g/mol
LogP2.61
Rot. Bonds2

About 1-(2-chloro-5-fluorophenyl)-2-propan-2-ylguanidine

1-(2-chloro-5-fluorophenyl)-2-propan-2-ylguanidine (PubChem CID 107531363) has the molecular formula C10H13ClFN3 and a molecular weight of 229.69 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-2-propan-2-ylguanidine.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-2-propan-2-ylguanidine
PubChem CID107531363
Molecular FormulaC10H13ClFN3
Molecular Weight229.69 g/mol
Exact Mass229.08
IUPAC Name1-(2-chloro-5-fluorophenyl)-2-propan-2-ylguanidine
SMILESCC(C)/N=C(\N)Nc1cc(F)ccc1Cl
InChIInChI=1S/C10H13ClFN3/c1-6(2)14-10(13)15-9-5-7(12)3-4-8(9)11/h3-6H,1-2H3,(H3,13,14,15)
InChIKeyGNUBQSGJLCUZCS-UHFFFAOYSA-N
XLogP2.61
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.69
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chloro-5-fluorophenyl)-2-ethylguanidine
CID 107531361
1-(4-fluoro-2-methoxyphenyl)-2-propan-2-ylguanidine
CID 62381483
N-(2-chloro-5-fluorophenyl)acetamide
CID 102458235
(3E)-3-amino-N-(2-chloro-5-fluorophenyl)-3-hydroxyiminopropanamide
CID 107530741
N-(2-chloro-5-fluorophenyl)-1-[(E)-N'-hydroxycarbamimidoyl]cyclopropane-1-carboxamide
CID 107530743
1-(2-chloro-5-fluorophenyl)-3-(3,5-difluorophenyl)thiourea
CID 53488911
2-propan-2-yl-1-(2,3,4-trifluorophenyl)guanidine
CID 62379789
1-(2-bromo-3-chlorophenyl)-2-propan-2-ylguanidine
CID 103481487
1-(4-chloro-2-iodophenyl)-2-propan-2-ylguanidine
CID 107638202
3-[(2-chloro-5-fluorophenyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 107530124
(2S)-2-amino-N-(2-chloro-5-fluorophenyl)hexanamide
CID 103831238
1-(2-chloro-5-fluorophenyl)-3-(3-chloro-4-methylphenyl)thiourea
CID 53489418

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-2-propan-2-ylguanidine?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-2-propan-2-ylguanidine (CID 107531363) is 1-(2-chloro-5-fluorophenyl)-2-propan-2-ylguanidine.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-2-propan-2-ylguanidine?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-2-propan-2-ylguanidine is CC(C)/N=C(\N)Nc1cc(F)ccc1Cl.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-2-propan-2-ylguanidine?
The InChIKey is GNUBQSGJLCUZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFN3/c1-6(2)14-10(13)15-9-5-7(12)3-4-8(9)11/h3-6H,1-2H3,(H3,13,14,15).
What are the key properties of 1-(2-chloro-5-fluorophenyl)-2-propan-2-ylguanidine?
1-(2-chloro-5-fluorophenyl)-2-propan-2-ylguanidine has a molecular weight of 229.69 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)-2-propan-2-ylguanidine is sourced from PubChem (CID 107531363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).