2,2,2-trifluoroethyl 2-(benzylideneamino)acetate

C11H10F3NO2 — CID 102600153

IUPAC2,2,2-trifluoroethyl 2-(benzylideneamino)acetate
SMILESO=C(C/N=C/c1ccccc1)OCC(F)(F)F
InChIInChI=1S/C11H10F3NO2/c12-11(13,14)8-17-10(16)7-15-6-9-4-2-1-3-5-9/h1-6H,7-8H2/b15-6+
InChIKeyRSVBJTXUKUEQSN-GIDUJCDVSA-N
MW245.20 g/mol
LogP2.21
Rot. Bonds4

About 2,2,2-trifluoroethyl 2-(benzylideneamino)acetate

2,2,2-trifluoroethyl 2-(benzylideneamino)acetate (PubChem CID 102600153) has the molecular formula C11H10F3NO2 and a molecular weight of 245.20 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl 2-(benzylideneamino)acetate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl 2-(benzylideneamino)acetate
PubChem CID102600153
Molecular FormulaC11H10F3NO2
Molecular Weight245.20 g/mol
Exact Mass245.07
IUPAC Name2,2,2-trifluoroethyl 2-(benzylideneamino)acetate
SMILESO=C(C/N=C/c1ccccc1)OCC(F)(F)F
InChIInChI=1S/C11H10F3NO2/c12-11(13,14)8-17-10(16)7-15-6-9-4-2-1-3-5-9/h1-6H,7-8H2/b15-6+
InChIKeyRSVBJTXUKUEQSN-GIDUJCDVSA-N
XLogP2.21
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

phosphanyl 2-(benzylideneamino)acetate
CID 88978605
methyl 2-(benzylideneamino)acetate
CID 132550307
prop-1-en-2-yl 2-(benzylideneamino)acetate
CID 89150054
methyl 2-[[3-(trifluoromethyl)phenyl]methylideneamino]acetate
CID 101464483
2,2,2-trifluoroethyl 2-(2-aminophenyl)acetate
CID 28689944
ethyl 2-[(4-hydroxyphenyl)methylideneamino]acetate
CID 135509911
ethyl 2-[(4-bromophenyl)methylideneamino]acetate
CID 10492236
2,2,2-trifluoroethyl (Z)-2-acetyloxy-3-phenylprop-2-enoate
CID 102380610
ethyl 2-[(2-methylphenyl)methylideneamino]acetate
CID 15468535
[3,5-bis(2,2,2-trifluoroethoxycarbonyl)phenyl]-diphenylsulfanium
CID 177131618
2,2,2-trifluoroethyl (Z)-3-amino-3-phenylprop-2-enoate
CID 102048731
2,2,2-trifluoroethyl 3-[dimethyl(phenyl)stannyl]-3-phenylpropanoate
CID 25052880

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl 2-(benzylideneamino)acetate?
The IUPAC name of 2,2,2-trifluoroethyl 2-(benzylideneamino)acetate (CID 102600153) is 2,2,2-trifluoroethyl 2-(benzylideneamino)acetate.
What is the SMILES notation for 2,2,2-trifluoroethyl 2-(benzylideneamino)acetate?
The canonical SMILES for 2,2,2-trifluoroethyl 2-(benzylideneamino)acetate is O=C(C/N=C/c1ccccc1)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl 2-(benzylideneamino)acetate?
The InChIKey is RSVBJTXUKUEQSN-GIDUJCDVSA-N. The full InChI is InChI=1S/C11H10F3NO2/c12-11(13,14)8-17-10(16)7-15-6-9-4-2-1-3-5-9/h1-6H,7-8H2/b15-6+.
What are the key properties of 2,2,2-trifluoroethyl 2-(benzylideneamino)acetate?
2,2,2-trifluoroethyl 2-(benzylideneamino)acetate has a molecular weight of 245.20 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl 2-(benzylideneamino)acetate is sourced from PubChem (CID 102600153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).