2-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methylideneamino]guanidine

C10H10F4N4O — CID 168593001

IUPAC2-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methylideneamino]guanidine
SMILESNC(N)=NN=Cc1cccc(OC(F)(F)C(F)F)c1
InChIInChI=1S/C10H10F4N4O/c11-8(12)10(13,14)19-7-3-1-2-6(4-7)5-17-18-9(15)16/h1-5,8H,(H4,15,16,18)
InChIKeyMPLHGMKKGOKPIB-UHFFFAOYSA-N
MW278.21 g/mol
LogP1.53
Rot. Bonds5

About 2-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methylideneamino]guanidine

2-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methylideneamino]guanidine (PubChem CID 168593001) has the molecular formula C10H10F4N4O and a molecular weight of 278.21 g/mol. Its IUPAC name is 2-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methylideneamino]guanidine
PubChem CID168593001
Molecular FormulaC10H10F4N4O
Molecular Weight278.21 g/mol
Exact Mass278.08
IUPAC Name2-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methylideneamino]guanidine
SMILESNC(N)=NN=Cc1cccc(OC(F)(F)C(F)F)c1
InChIInChI=1S/C10H10F4N4O/c11-8(12)10(13,14)19-7-3-1-2-6(4-7)5-17-18-9(15)16/h1-5,8H,(H4,15,16,18)
InChIKeyMPLHGMKKGOKPIB-UHFFFAOYSA-N
XLogP1.53
TPSA85.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.21
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 2-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methylideneamino]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]guanidine
CID 168592270
2-[(3-ethoxyphenyl)methylideneamino]guanidine
CID 76880079
2-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]guanidine;hydrochloride
CID 86278990
2-[[3-(4-aminophenoxy)phenyl]methylideneamino]guanidine
CID 168591305
2-[(E)-(3-butoxyphenyl)methylideneamino]guanidine
CID 110340446
2-[[4-(difluoromethoxy)phenyl]methylideneamino]guanidine
CID 2341379
2-[(3-pyrazin-2-yloxyphenyl)methylideneamino]guanidine
CID 168591514
ethyl 2-[3-[(Z)-(diaminomethylidenehydrazinylidene)methyl]phenoxy]acetate
CID 71670101
2-[[3-(3-fluorophenyl)phenyl]methylideneamino]guanidine
CID 168590584
2-[[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]guanidine
CID 168592571
2-[[3-[(4-chloro-3-fluorophenyl)methoxy]phenyl]methylideneamino]guanidine
CID 168590804
2-[(E)-[3-[4-[(E)-(diaminomethylidenehydrazinylidene)methyl]phenyl]phenyl]methylideneamino]guanidine
CID 134136656

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methylideneamino]guanidine?
The IUPAC name of 2-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methylideneamino]guanidine (CID 168593001) is 2-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methylideneamino]guanidine.
What is the SMILES notation for 2-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methylideneamino]guanidine?
The canonical SMILES for 2-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methylideneamino]guanidine is NC(N)=NN=Cc1cccc(OC(F)(F)C(F)F)c1.
What is the InChIKey of 2-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methylideneamino]guanidine?
The InChIKey is MPLHGMKKGOKPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F4N4O/c11-8(12)10(13,14)19-7-3-1-2-6(4-7)5-17-18-9(15)16/h1-5,8H,(H4,15,16,18).
What are the key properties of 2-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methylideneamino]guanidine?
2-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methylideneamino]guanidine has a molecular weight of 278.21 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methylideneamino]guanidine is sourced from PubChem (CID 168593001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).