phenyl N'-(2,2,2-trifluoroethyl)carbamimidate

C9H9F3N2O — CID 142821709

IUPACphenyl N'-(2,2,2-trifluoroethyl)carbamimidate
SMILESN/C(=N\CC(F)(F)F)Oc1ccccc1
InChIInChI=1S/C9H9F3N2O/c10-9(11,12)6-14-8(13)15-7-4-2-1-3-5-7/h1-5H,6H2,(H2,13,14)
InChIKeyUNGWNPRXDRAEAA-UHFFFAOYSA-N
MW218.18 g/mol
LogP1.94
Rot. Bonds2

About phenyl N'-(2,2,2-trifluoroethyl)carbamimidate

phenyl N'-(2,2,2-trifluoroethyl)carbamimidate (PubChem CID 142821709) has the molecular formula C9H9F3N2O and a molecular weight of 218.18 g/mol. Its IUPAC name is phenyl N'-(2,2,2-trifluoroethyl)carbamimidate.

Molecular Properties

Compound Namephenyl N'-(2,2,2-trifluoroethyl)carbamimidate
PubChem CID142821709
Molecular FormulaC9H9F3N2O
Molecular Weight218.18 g/mol
Exact Mass218.07
IUPAC Namephenyl N'-(2,2,2-trifluoroethyl)carbamimidate
SMILESN/C(=N\CC(F)(F)F)Oc1ccccc1
InChIInChI=1S/C9H9F3N2O/c10-9(11,12)6-14-8(13)15-7-4-2-1-3-5-7/h1-5H,6H2,(H2,13,14)
InChIKeyUNGWNPRXDRAEAA-UHFFFAOYSA-N
XLogP1.94
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.18
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze phenyl N'-(2,2,2-trifluoroethyl)carbamimidate 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

phenyl N-(aminomethylidene)-N'-(2,2,2-trifluoroethyl)carbamimidate
CID 154498680
phenol;2,2,2-trifluoroethoxybenzene
CID 174967121
methyl N'-(2,2,2-trifluoroethyl)carbamimidate
CID 162589776
[4-(2,2,2-trifluoroethoxy)phenyl] benzoate
CID 67206614
2,2-difluoropropoxybenzene
CID 10997493
sulfuryl dichloride;2,2,2-trifluoroethoxybenzene
CID 87396424
phenyl N'-(iodomethylsulfonyl)carbamimidate
CID 134986311
N'-(3-phenoxypropyl)propanimidamide
CID 63175356
1,1-difluoro-2-phenoxyethanesulfinic acid
CID 91070977
3,3-difluoro-4-phenoxybutanoic acid
CID 105469449
1,1-difluoro-2-phenoxyethanesulfonic acid
CID 129070528
phenyl N'-(benzenesulfonyl)carbamimidate
CID 70117116

Frequently Asked Questions

What is the IUPAC name of phenyl N'-(2,2,2-trifluoroethyl)carbamimidate?
The IUPAC name of phenyl N'-(2,2,2-trifluoroethyl)carbamimidate (CID 142821709) is phenyl N'-(2,2,2-trifluoroethyl)carbamimidate.
What is the SMILES notation for phenyl N'-(2,2,2-trifluoroethyl)carbamimidate?
The canonical SMILES for phenyl N'-(2,2,2-trifluoroethyl)carbamimidate is N/C(=N\CC(F)(F)F)Oc1ccccc1.
What is the InChIKey of phenyl N'-(2,2,2-trifluoroethyl)carbamimidate?
The InChIKey is UNGWNPRXDRAEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O/c10-9(11,12)6-14-8(13)15-7-4-2-1-3-5-7/h1-5H,6H2,(H2,13,14).
What are the key properties of phenyl N'-(2,2,2-trifluoroethyl)carbamimidate?
phenyl N'-(2,2,2-trifluoroethyl)carbamimidate has a molecular weight of 218.18 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N'-(2,2,2-trifluoroethyl)carbamimidate is sourced from PubChem (CID 142821709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).