2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]guanidine

C10H11F3N4O — CID 168592270

IUPAC2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]guanidine
SMILESNC(N)=NN=Cc1cccc(OCC(F)(F)F)c1
InChIInChI=1S/C10H11F3N4O/c11-10(12,13)6-18-8-3-1-2-7(4-8)5-16-17-9(14)15/h1-5H,6H2,(H4,14,15,17)
InChIKeyQRRLRORPPYWVKG-UHFFFAOYSA-N
MW260.22 g/mol
LogP1.24
Rot. Bonds4

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

2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]guanidine (PubChem CID 168592270) has the molecular formula C10H11F3N4O and a molecular weight of 260.22 g/mol. Its IUPAC name is 2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]guanidine
PubChem CID168592270
Molecular FormulaC10H11F3N4O
Molecular Weight260.22 g/mol
Exact Mass260.09
IUPAC Name2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]guanidine
SMILESNC(N)=NN=Cc1cccc(OCC(F)(F)F)c1
InChIInChI=1S/C10H11F3N4O/c11-10(12,13)6-18-8-3-1-2-7(4-8)5-16-17-9(14)15/h1-5H,6H2,(H4,14,15,17)
InChIKeyQRRLRORPPYWVKG-UHFFFAOYSA-N
XLogP1.24
TPSA85.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.22
LogP ≤ 51.24
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'}

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Related Compounds

2-[(3-ethoxyphenyl)methylideneamino]guanidine
CID 76880079
2-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methylideneamino]guanidine
CID 168593001
2-[(E)-(3-butoxyphenyl)methylideneamino]guanidine
CID 110340446
2-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]guanidine;hydrochloride
CID 86278990
2-[(E)-[3-[(4-bromophenyl)methoxy]phenyl]methylideneamino]guanidine
CID 110338183
ethyl 2-[3-[(Z)-(diaminomethylidenehydrazinylidene)methyl]phenoxy]acetate
CID 71670101
2-[[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]guanidine
CID 168592571
2-[[3-[(4-chloro-3-fluorophenyl)methoxy]phenyl]methylideneamino]guanidine
CID 168590804
2-[[3-(4-aminophenoxy)phenyl]methylideneamino]guanidine
CID 168591305
2-[[3-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]guanidine
CID 168590728
ethyl 5-[3-[(diaminomethylidenehydrazinylidene)methyl]phenoxy]pentanoate
CID 168592145
2-[[3-[(4-benzoylphenyl)methoxy]phenyl]methylideneamino]guanidine
CID 74184183

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]guanidine?
The IUPAC name of 2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]guanidine (CID 168592270) is 2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]guanidine.
What is the SMILES notation for 2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]guanidine?
The canonical SMILES for 2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]guanidine is NC(N)=NN=Cc1cccc(OCC(F)(F)F)c1.
What is the InChIKey of 2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]guanidine?
The InChIKey is QRRLRORPPYWVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4O/c11-10(12,13)6-18-8-3-1-2-7(4-8)5-16-17-9(14)15/h1-5H,6H2,(H4,14,15,17).
What are the key properties of 2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]guanidine?
2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]guanidine has a molecular weight of 260.22 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]guanidine is sourced from PubChem (CID 168592270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).