1-methylidene-2-[4-(trifluoromethyl)phenyl]guanidine

C9H8F3N3 — CID 174359936

IUPAC1-methylidene-2-[4-(trifluoromethyl)phenyl]guanidine
SMILESC=N/C(N)=N\c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C9H8F3N3/c1-14-8(13)15-7-4-2-6(3-5-7)9(10,11)12/h2-5H,1H2,(H2,13,15)
InChIKeyQSLRRXKIWVUXJK-UHFFFAOYSA-N
MW215.18 g/mol
LogP2.35
Rot. Bonds1

About 1-methylidene-2-[4-(trifluoromethyl)phenyl]guanidine

1-methylidene-2-[4-(trifluoromethyl)phenyl]guanidine (PubChem CID 174359936) has the molecular formula C9H8F3N3 and a molecular weight of 215.18 g/mol. Its IUPAC name is 1-methylidene-2-[4-(trifluoromethyl)phenyl]guanidine.

Molecular Properties

Compound Name1-methylidene-2-[4-(trifluoromethyl)phenyl]guanidine
PubChem CID174359936
Molecular FormulaC9H8F3N3
Molecular Weight215.18 g/mol
Exact Mass215.07
IUPAC Name1-methylidene-2-[4-(trifluoromethyl)phenyl]guanidine
SMILESC=N/C(N)=N\c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C9H8F3N3/c1-14-8(13)15-7-4-2-6(3-5-7)9(10,11)12/h2-5H,1H2,(H2,13,15)
InChIKeyQSLRRXKIWVUXJK-UHFFFAOYSA-N
XLogP2.35
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.18
LogP ≤ 52.35
H-Bond Donors ≤ 51
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'-[N'-[4-(trifluoromethyl)phenyl]carbamimidoyl]-2,5-dihydropyrrole-1-carboximidamide
CID 142722371
N'-[N'-[4-(trifluoromethyl)phenyl]carbamimidoyl]azetidine-1-carboximidamide;hydrochloride
CID 172724102
ethyl N'-[4-(trifluoromethyl)phenyl]carbamimidothioate
CID 3311
N'-[N'-[4-(trifluoromethyl)phenyl]carbamimidoyl]-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 142722481
4-methyl-N'-[N'-[4-(trifluoromethyl)phenyl]carbamimidoyl]piperidine-1-carboximidamide;hydrochloride
CID 158782554
N-phenyl-1,1-bis[4-(trifluoromethyl)phenyl]methanimine
CID 2317227
3-N,4-N-bis[4-(trifluoromethyl)phenyl]-1,6-bis[tri(propan-2-yl)silyl]hexa-1,5-diyne-3,4-diimine
CID 11039797
2-(aminomethylidene)-3-[4-(trifluoromethyl)phenyl]iminobutanoic acid
CID 152866492
5-methyl-N'-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboximidamide
CID 154021871
N-(4-chlorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanimine
CID 139245860
1,1,1-trifluoro-4-[4-(trifluoromethyl)phenyl]iminopentan-2-one
CID 91898112
N-phenyl-1-[4-(trifluoromethyl)phenyl]ethanimine
CID 11300013

Frequently Asked Questions

What is the IUPAC name of 1-methylidene-2-[4-(trifluoromethyl)phenyl]guanidine?
The IUPAC name of 1-methylidene-2-[4-(trifluoromethyl)phenyl]guanidine (CID 174359936) is 1-methylidene-2-[4-(trifluoromethyl)phenyl]guanidine.
What is the SMILES notation for 1-methylidene-2-[4-(trifluoromethyl)phenyl]guanidine?
The canonical SMILES for 1-methylidene-2-[4-(trifluoromethyl)phenyl]guanidine is C=N/C(N)=N\c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-methylidene-2-[4-(trifluoromethyl)phenyl]guanidine?
The InChIKey is QSLRRXKIWVUXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3/c1-14-8(13)15-7-4-2-6(3-5-7)9(10,11)12/h2-5H,1H2,(H2,13,15).
What are the key properties of 1-methylidene-2-[4-(trifluoromethyl)phenyl]guanidine?
1-methylidene-2-[4-(trifluoromethyl)phenyl]guanidine has a molecular weight of 215.18 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylidene-2-[4-(trifluoromethyl)phenyl]guanidine is sourced from PubChem (CID 174359936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).