2-[(Z)-1-(3-fluorophenyl)propan-2-ylideneamino]guanidine

C10H13FN4 — CID 115694674

IUPAC2-[(Z)-1-(3-fluorophenyl)propan-2-ylideneamino]guanidine
SMILESC/C(Cc1cccc(F)c1)=N/N=C(N)N
InChIInChI=1S/C10H13FN4/c1-7(14-15-10(12)13)5-8-3-2-4-9(11)6-8/h2-4,6H,5H2,1H3,(H4,12,13,15)/b14-7-
InChIKeyLEPUOJRCUHLXEN-AUWJEWJLSA-N
MW208.24 g/mol
LogP1.02
Rot. Bonds3

About 2-[(Z)-1-(3-fluorophenyl)propan-2-ylideneamino]guanidine

2-[(Z)-1-(3-fluorophenyl)propan-2-ylideneamino]guanidine (PubChem CID 115694674) has the molecular formula C10H13FN4 and a molecular weight of 208.24 g/mol. Its IUPAC name is 2-[(Z)-1-(3-fluorophenyl)propan-2-ylideneamino]guanidine.

Molecular Properties

Compound Name2-[(Z)-1-(3-fluorophenyl)propan-2-ylideneamino]guanidine
PubChem CID115694674
Molecular FormulaC10H13FN4
Molecular Weight208.24 g/mol
Exact Mass208.11
IUPAC Name2-[(Z)-1-(3-fluorophenyl)propan-2-ylideneamino]guanidine
SMILESC/C(Cc1cccc(F)c1)=N/N=C(N)N
InChIInChI=1S/C10H13FN4/c1-7(14-15-10(12)13)5-8-3-2-4-9(11)6-8/h2-4,6H,5H2,1H3,(H4,12,13,15)/b14-7-
InChIKeyLEPUOJRCUHLXEN-AUWJEWJLSA-N
XLogP1.02
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.02
H-Bond Donors ≤ 52
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-[(Z)-1-phenylpropan-2-ylideneamino]guanidine
CID 5493424
2-[(3-fluorophenyl)methyl]guanidine
CID 14963573
N-amino-2-(3-fluorophenyl)-N'-methylethanimidamide
CID 61362476
N-[2-(diaminomethylideneamino)ethyl]-2-(3-fluorophenyl)acetamide
CID 119112923
2-[(3-fluorophenyl)methyl]prop-2-en-1-amine
CID 117266417
(2S)-2-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propanamide
CID 95587276
[(2R)-1-amino-1-oxopropan-2-yl] 2-(3-fluorophenyl)acetate
CID 8590359
propyl 2-(3-fluorophenyl)acetate
CID 43389577
1-(3-fluorophenyl)-3-hydroxypropan-2-one
CID 70264927
(2R)-2-amino-3-(3-fluorophenyl)propanamide
CID 102314592
2-[[2-(3-fluorophenyl)acetyl]amino]ethyl acetate
CID 151755820
1-(bromomethyl)-3-fluorobenzene;ethane
CID 90998374

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-(3-fluorophenyl)propan-2-ylideneamino]guanidine?
The IUPAC name of 2-[(Z)-1-(3-fluorophenyl)propan-2-ylideneamino]guanidine (CID 115694674) is 2-[(Z)-1-(3-fluorophenyl)propan-2-ylideneamino]guanidine.
What is the SMILES notation for 2-[(Z)-1-(3-fluorophenyl)propan-2-ylideneamino]guanidine?
The canonical SMILES for 2-[(Z)-1-(3-fluorophenyl)propan-2-ylideneamino]guanidine is C/C(Cc1cccc(F)c1)=N/N=C(N)N.
What is the InChIKey of 2-[(Z)-1-(3-fluorophenyl)propan-2-ylideneamino]guanidine?
The InChIKey is LEPUOJRCUHLXEN-AUWJEWJLSA-N. The full InChI is InChI=1S/C10H13FN4/c1-7(14-15-10(12)13)5-8-3-2-4-9(11)6-8/h2-4,6H,5H2,1H3,(H4,12,13,15)/b14-7-.
What are the key properties of 2-[(Z)-1-(3-fluorophenyl)propan-2-ylideneamino]guanidine?
2-[(Z)-1-(3-fluorophenyl)propan-2-ylideneamino]guanidine has a molecular weight of 208.24 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-(3-fluorophenyl)propan-2-ylideneamino]guanidine is sourced from PubChem (CID 115694674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).