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

C10H10F3N3O — CID 154498680

IUPACphenyl N-(aminomethylidene)-N'-(2,2,2-trifluoroethyl)carbamimidate
SMILESNC=N/C(=N\CC(F)(F)F)Oc1ccccc1
InChIInChI=1S/C10H10F3N3O/c11-10(12,13)6-15-9(16-7-14)17-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,14,15,16)
InChIKeySNOSFTKZIAKRQF-UHFFFAOYSA-N
MW245.20 g/mol
LogP1.97
Rot. Bonds2

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

phenyl N-(aminomethylidene)-N'-(2,2,2-trifluoroethyl)carbamimidate (PubChem CID 154498680) has the molecular formula C10H10F3N3O and a molecular weight of 245.20 g/mol. Its IUPAC name is phenyl N-(aminomethylidene)-N'-(2,2,2-trifluoroethyl)carbamimidate.

Molecular Properties

Compound Namephenyl N-(aminomethylidene)-N'-(2,2,2-trifluoroethyl)carbamimidate
PubChem CID154498680
Molecular FormulaC10H10F3N3O
Molecular Weight245.20 g/mol
Exact Mass245.08
IUPAC Namephenyl N-(aminomethylidene)-N'-(2,2,2-trifluoroethyl)carbamimidate
SMILESNC=N/C(=N\CC(F)(F)F)Oc1ccccc1
InChIInChI=1S/C10H10F3N3O/c11-10(12,13)6-15-9(16-7-14)17-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,14,15,16)
InChIKeySNOSFTKZIAKRQF-UHFFFAOYSA-N
XLogP1.97
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 51.97
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'}

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Related Compounds

phenyl N'-(2,2,2-trifluoroethyl)carbamimidate
CID 142821709
phenol;2,2,2-trifluoroethoxybenzene
CID 174967121
[4-(2,2,2-trifluoroethoxy)phenyl] benzoate
CID 67206614
2,2-difluoropropoxybenzene
CID 10997493
1,1,1-trifluoro-5-phenoxypentan-3-amine
CID 115002824
sulfuryl dichloride;2,2,2-trifluoroethoxybenzene
CID 87396424
1,1-difluoro-2-phenoxyethanesulfinic acid
CID 91070977
3,3-difluoro-4-phenoxybutanoic acid
CID 105469449
1,1-difluoro-2-phenoxyethanesulfonic acid
CID 129070528
2-amino-3-phenoxy-2-phosphorosopropanoic acid
CID 175465568
[4-(2,2,2-trifluoroethyldiazenyl)phenyl] benzoate
CID 122398247
1,1,1-trifluoro-5-phenoxypentan-3-one
CID 94504736

Frequently Asked Questions

What is the IUPAC name of phenyl N-(aminomethylidene)-N'-(2,2,2-trifluoroethyl)carbamimidate?
The IUPAC name of phenyl N-(aminomethylidene)-N'-(2,2,2-trifluoroethyl)carbamimidate (CID 154498680) is phenyl N-(aminomethylidene)-N'-(2,2,2-trifluoroethyl)carbamimidate.
What is the SMILES notation for phenyl N-(aminomethylidene)-N'-(2,2,2-trifluoroethyl)carbamimidate?
The canonical SMILES for phenyl N-(aminomethylidene)-N'-(2,2,2-trifluoroethyl)carbamimidate is NC=N/C(=N\CC(F)(F)F)Oc1ccccc1.
What is the InChIKey of phenyl N-(aminomethylidene)-N'-(2,2,2-trifluoroethyl)carbamimidate?
The InChIKey is SNOSFTKZIAKRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O/c11-10(12,13)6-15-9(16-7-14)17-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,14,15,16).
What are the key properties of phenyl N-(aminomethylidene)-N'-(2,2,2-trifluoroethyl)carbamimidate?
phenyl N-(aminomethylidene)-N'-(2,2,2-trifluoroethyl)carbamimidate has a molecular weight of 245.20 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(aminomethylidene)-N'-(2,2,2-trifluoroethyl)carbamimidate is sourced from PubChem (CID 154498680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).