2-[(3-fluorophenyl)methyl]guanidine

C8H10FN3 — CID 14963573

IUPAC2-[(3-fluorophenyl)methyl]guanidine
SMILESNC(N)=NCc1cccc(F)c1
InChIInChI=1S/C8H10FN3/c9-7-3-1-2-6(4-7)5-12-8(10)11/h1-4H,5H2,(H4,10,11,12)
InChIKeyHNPHEZIYSZIWHH-UHFFFAOYSA-N
MW167.19 g/mol
LogP0.60
Rot. Bonds2

About 2-[(3-fluorophenyl)methyl]guanidine

2-[(3-fluorophenyl)methyl]guanidine (PubChem CID 14963573) has the molecular formula C8H10FN3 and a molecular weight of 167.19 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]guanidine.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]guanidine
PubChem CID14963573
Molecular FormulaC8H10FN3
Molecular Weight167.19 g/mol
Exact Mass167.09
IUPAC Name2-[(3-fluorophenyl)methyl]guanidine
SMILESNC(N)=NCc1cccc(F)c1
InChIInChI=1S/C8H10FN3/c9-7-3-1-2-6(4-7)5-12-8(10)11/h1-4H,5H2,(H4,10,11,12)
InChIKeyHNPHEZIYSZIWHH-UHFFFAOYSA-N
XLogP0.60
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.19
LogP ≤ 50.60
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

2-[(3-chlorophenyl)methyl]guanidine;hydroiodide
CID 167747614
1-[(aminodiazenyl)methyl]-3-fluorobenzene
CID 123306710
N'-[(3-chlorophenyl)methyl]-3-fluorobenzenecarboximidamide
CID 20706457
2-[(3-fluorophenyl)methyl]-1-(2-methylpropyl)guanidine;hydroiodide
CID 110912118
2-[[3-(difluoromethoxy)phenyl]methyl]guanidine;hydroiodide
CID 110930301
2-[[3-(phenylmethoxymethyl)phenyl]methyl]guanidine
CID 110915389
2-[(Z)-1-(3-fluorophenyl)propan-2-ylideneamino]guanidine
CID 115694674
2-[(3-phenoxyphenyl)methyl]guanidine;hydroiodide
CID 110915540
N-[2-(diaminomethylideneamino)ethyl]-2-(3-fluorophenyl)acetamide
CID 119112923
CID 175350764
CID 175350764
2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]guanidine
CID 71510299
1-(2,3-dihydro-1H-inden-5-yl)-2-[(3-fluorophenyl)methyl]guanidine
CID 111044144

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]guanidine?
The IUPAC name of 2-[(3-fluorophenyl)methyl]guanidine (CID 14963573) is 2-[(3-fluorophenyl)methyl]guanidine.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]guanidine?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]guanidine is NC(N)=NCc1cccc(F)c1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]guanidine?
The InChIKey is HNPHEZIYSZIWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3/c9-7-3-1-2-6(4-7)5-12-8(10)11/h1-4H,5H2,(H4,10,11,12).
What are the key properties of 2-[(3-fluorophenyl)methyl]guanidine?
2-[(3-fluorophenyl)methyl]guanidine has a molecular weight of 167.19 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]guanidine is sourced from PubChem (CID 14963573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).