2-[2-fluoro-5-(trifluoromethyl)phenyl]guanidine

C8H7F4N3 — CID 22120088

IUPAC2-[2-fluoro-5-(trifluoromethyl)phenyl]guanidine
SMILESNC(N)=Nc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C8H7F4N3/c9-5-2-1-4(8(10,11)12)3-6(5)15-7(13)14/h1-3H,(H4,13,14,15)
InChIKeyPAOYJAIFEPYNRM-UHFFFAOYSA-N
MW221.16 g/mol
LogP1.75
Rot. Bonds1

About 2-[2-fluoro-5-(trifluoromethyl)phenyl]guanidine

2-[2-fluoro-5-(trifluoromethyl)phenyl]guanidine (PubChem CID 22120088) has the molecular formula C8H7F4N3 and a molecular weight of 221.16 g/mol. Its IUPAC name is 2-[2-fluoro-5-(trifluoromethyl)phenyl]guanidine.

Molecular Properties

Compound Name2-[2-fluoro-5-(trifluoromethyl)phenyl]guanidine
PubChem CID22120088
Molecular FormulaC8H7F4N3
Molecular Weight221.16 g/mol
Exact Mass221.06
IUPAC Name2-[2-fluoro-5-(trifluoromethyl)phenyl]guanidine
SMILESNC(N)=Nc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C8H7F4N3/c9-5-2-1-4(8(10,11)12)3-6(5)15-7(13)14/h1-3H,(H4,13,14,15)
InChIKeyPAOYJAIFEPYNRM-UHFFFAOYSA-N
XLogP1.75
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.16
LogP ≤ 51.75
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

N'-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopentanecarboximidamide
CID 63181253
1-fluoro-2-isocyanato-4-(trifluoromethyl)benzene
CID 2733380
2-chloro-N'-[2-fluoro-4-(trifluoromethyl)phenyl]ethanimidamide
CID 169365215
N-(diaminomethylidene)-2-fluoro-5-(trifluoromethyl)benzamide;hydrochloride
CID 23212872
2-fluoro-5-(trifluoromethyl)benzamide;hydrobromide
CID 68534257
1-(3-ethylphenyl)-2-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylguanidine;hydrochloride
CID 22121774
2-[2-fluoro-4-(trifluoromethyl)phenyl]-N'-hydroxyethanimidamide
CID 91755373
2-fluoro-1-isocyanato-4-(trifluoromethyl)benzene
CID 21286621
2-(2,3,4-trifluorophenyl)guanidine
CID 62379829
1-hydroxy-2-[2-methyl-5-(trifluoromethyl)phenyl]guanidine
CID 66477962
4-chloro-2-[[2-fluoro-5-(trifluoromethyl)phenyl]iminomethyl]phenol
CID 162650883
(3Z)-4-[2-fluoro-4-(trifluoromethyl)phenyl]buta-1,3-diene-1,1,4-triamine
CID 178030367

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-5-(trifluoromethyl)phenyl]guanidine?
The IUPAC name of 2-[2-fluoro-5-(trifluoromethyl)phenyl]guanidine (CID 22120088) is 2-[2-fluoro-5-(trifluoromethyl)phenyl]guanidine.
What is the SMILES notation for 2-[2-fluoro-5-(trifluoromethyl)phenyl]guanidine?
The canonical SMILES for 2-[2-fluoro-5-(trifluoromethyl)phenyl]guanidine is NC(N)=Nc1cc(C(F)(F)F)ccc1F.
What is the InChIKey of 2-[2-fluoro-5-(trifluoromethyl)phenyl]guanidine?
The InChIKey is PAOYJAIFEPYNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F4N3/c9-5-2-1-4(8(10,11)12)3-6(5)15-7(13)14/h1-3H,(H4,13,14,15).
What are the key properties of 2-[2-fluoro-5-(trifluoromethyl)phenyl]guanidine?
2-[2-fluoro-5-(trifluoromethyl)phenyl]guanidine has a molecular weight of 221.16 g/mol, XLogP of 1.75, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-5-(trifluoromethyl)phenyl]guanidine is sourced from PubChem (CID 22120088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).