2-[[4-(1,1-difluoroethyl)phenyl]methylideneamino]guanidine

C10H12F2N4 — CID 168591146

IUPAC2-[[4-(1,1-difluoroethyl)phenyl]methylideneamino]guanidine
SMILESCC(F)(F)c1ccc(C=NN=C(N)N)cc1
InChIInChI=1S/C10H12F2N4/c1-10(11,12)8-4-2-7(3-5-8)6-15-16-9(13)14/h2-6H,1H3,(H4,13,14,16)
InChIKeyGUDIIHVAYJZWLV-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.41
Rot. Bonds3

About 2-[[4-(1,1-difluoroethyl)phenyl]methylideneamino]guanidine

2-[[4-(1,1-difluoroethyl)phenyl]methylideneamino]guanidine (PubChem CID 168591146) has the molecular formula C10H12F2N4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 2-[[4-(1,1-difluoroethyl)phenyl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-[[4-(1,1-difluoroethyl)phenyl]methylideneamino]guanidine
PubChem CID168591146
Molecular FormulaC10H12F2N4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name2-[[4-(1,1-difluoroethyl)phenyl]methylideneamino]guanidine
SMILESCC(F)(F)c1ccc(C=NN=C(N)N)cc1
InChIInChI=1S/C10H12F2N4/c1-10(11,12)8-4-2-7(3-5-8)6-15-16-9(13)14/h2-6H,1H3,(H4,13,14,16)
InChIKeyGUDIIHVAYJZWLV-UHFFFAOYSA-N
XLogP1.41
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.41
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-[[4-(trifluoromethylsulfanyl)phenyl]methylideneamino]guanidine
CID 76874392
4-[(Z)-(diaminomethylidenehydrazinylidene)methyl]benzoic acid
CID 5356929
2-[(E)-(4-ethylphenyl)methylideneamino]guanidine;hydrochloride
CID 87880634
1-hydroxy-2-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]guanidine
CID 171927858
2-[(E)-benzylideneamino]guanidine;hydrobromide
CID 75485430
2-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]guanidine;hydrochloride
CID 86278990
2-[(E)-[4-methoxy-3-(trifluoromethyl)phenyl]methylideneamino]guanidine
CID 87880684
2-[(E)-(4-phenylphenyl)methylideneamino]guanidine;hydrochloride
CID 87880611
2-[[4-(difluoromethoxy)phenyl]methylideneamino]guanidine
CID 2341379
2-[[4-(N-methylanilino)phenyl]methylideneamino]guanidine
CID 168590998
2-[(E)-(4-fluoro-3-methylphenyl)methylideneamino]guanidine;hydrochloride
CID 87880621
ethyl (Z)-2-[(Z)-N'-[(4-tert-butylphenyl)methylideneamino]carbamimidoyl]-3-ethoxy-3-hydroxyprop-2-enoate
CID 135624244

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(1,1-difluoroethyl)phenyl]methylideneamino]guanidine?
The IUPAC name of 2-[[4-(1,1-difluoroethyl)phenyl]methylideneamino]guanidine (CID 168591146) is 2-[[4-(1,1-difluoroethyl)phenyl]methylideneamino]guanidine.
What is the SMILES notation for 2-[[4-(1,1-difluoroethyl)phenyl]methylideneamino]guanidine?
The canonical SMILES for 2-[[4-(1,1-difluoroethyl)phenyl]methylideneamino]guanidine is CC(F)(F)c1ccc(C=NN=C(N)N)cc1.
What is the InChIKey of 2-[[4-(1,1-difluoroethyl)phenyl]methylideneamino]guanidine?
The InChIKey is GUDIIHVAYJZWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N4/c1-10(11,12)8-4-2-7(3-5-8)6-15-16-9(13)14/h2-6H,1H3,(H4,13,14,16).
What are the key properties of 2-[[4-(1,1-difluoroethyl)phenyl]methylideneamino]guanidine?
2-[[4-(1,1-difluoroethyl)phenyl]methylideneamino]guanidine has a molecular weight of 226.23 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(1,1-difluoroethyl)phenyl]methylideneamino]guanidine is sourced from PubChem (CID 168591146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).