2-[1-(3-fluorophenyl)ethyl]-1-hydroxyguanidine

C9H12FN3O — CID 62482309

IUPAC2-[1-(3-fluorophenyl)ethyl]-1-hydroxyguanidine
SMILESCC(/N=C(\N)NO)c1cccc(F)c1
InChIInChI=1S/C9H12FN3O/c1-6(12-9(11)13-14)7-3-2-4-8(10)5-7/h2-6,14H,1H3,(H3,11,12,13)
InChIKeyAPRZEMOEGJTHRB-UHFFFAOYSA-N
MW197.21 g/mol
LogP1.18
Rot. Bonds2

About 2-[1-(3-fluorophenyl)ethyl]-1-hydroxyguanidine

2-[1-(3-fluorophenyl)ethyl]-1-hydroxyguanidine (PubChem CID 62482309) has the molecular formula C9H12FN3O and a molecular weight of 197.21 g/mol. Its IUPAC name is 2-[1-(3-fluorophenyl)ethyl]-1-hydroxyguanidine.

Molecular Properties

Compound Name2-[1-(3-fluorophenyl)ethyl]-1-hydroxyguanidine
PubChem CID62482309
Molecular FormulaC9H12FN3O
Molecular Weight197.21 g/mol
Exact Mass197.10
IUPAC Name2-[1-(3-fluorophenyl)ethyl]-1-hydroxyguanidine
SMILESCC(/N=C(\N)NO)c1cccc(F)c1
InChIInChI=1S/C9H12FN3O/c1-6(12-9(11)13-14)7-3-2-4-8(10)5-7/h2-6,14H,1H3,(H3,11,12,13)
InChIKeyAPRZEMOEGJTHRB-UHFFFAOYSA-N
XLogP1.18
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 51.18
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'}

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Related Compounds

2-amino-1-(3-fluorophenyl)-3-methylbutan-1-ol
CID 82282052
2-cyclopentyl-1-[1-(3-fluorophenyl)ethyl]guanidine
CID 62369078
1-(3-fluorophenyl)ethyl carbamate
CID 174605012
N-[(1R)-1-(3-fluorophenyl)ethyl]acetamide
CID 81366934
2-[1-(3-fluorophenyl)ethylamino]propanamide
CID 43400981
3-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-N'-hydroxypropanimidamide
CID 81366931
1-(3-fluorophenyl)-2-(2-methylpropyl)guanidine
CID 62379621
(1R,2R)-1-fluoro-1-(3-fluorophenyl)propan-2-ol
CID 122372146
1-(3-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 60904161
1-(3-fluorophenyl)-2-(5-methylhexan-2-ylamino)ethanol
CID 60979915
2-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]propanamide
CID 81365596
(2R)-2-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]propanamide
CID 81364932

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-fluorophenyl)ethyl]-1-hydroxyguanidine?
The IUPAC name of 2-[1-(3-fluorophenyl)ethyl]-1-hydroxyguanidine (CID 62482309) is 2-[1-(3-fluorophenyl)ethyl]-1-hydroxyguanidine.
What is the SMILES notation for 2-[1-(3-fluorophenyl)ethyl]-1-hydroxyguanidine?
The canonical SMILES for 2-[1-(3-fluorophenyl)ethyl]-1-hydroxyguanidine is CC(/N=C(\N)NO)c1cccc(F)c1.
What is the InChIKey of 2-[1-(3-fluorophenyl)ethyl]-1-hydroxyguanidine?
The InChIKey is APRZEMOEGJTHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O/c1-6(12-9(11)13-14)7-3-2-4-8(10)5-7/h2-6,14H,1H3,(H3,11,12,13).
What are the key properties of 2-[1-(3-fluorophenyl)ethyl]-1-hydroxyguanidine?
2-[1-(3-fluorophenyl)ethyl]-1-hydroxyguanidine has a molecular weight of 197.21 g/mol, XLogP of 1.18, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-fluorophenyl)ethyl]-1-hydroxyguanidine is sourced from PubChem (CID 62482309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).