oxalic acid;1-phenyl-1-(trifluoromethyl)hydrazine

C9H9F3N2O4 — CID 175005553

IUPACoxalic acid;1-phenyl-1-(trifluoromethyl)hydrazine
SMILESNN(c1ccccc1)C(F)(F)F.O=C(O)C(=O)O
InChIInChI=1S/C7H7F3N2.C2H2O4/c8-7(9,10)12(11)6-4-2-1-3-5-6;3-1(4)2(5)6/h1-5H,11H2;(H,3,4)(H,5,6)
InChIKeyCSSOAAACJZBELV-UHFFFAOYSA-N
MW266.18 g/mol
LogP1.04
Rot. Bonds1

About oxalic acid;1-phenyl-1-(trifluoromethyl)hydrazine

oxalic acid;1-phenyl-1-(trifluoromethyl)hydrazine (PubChem CID 175005553) has the molecular formula C9H9F3N2O4 and a molecular weight of 266.18 g/mol. Its IUPAC name is oxalic acid;1-phenyl-1-(trifluoromethyl)hydrazine.

Molecular Properties

Compound Nameoxalic acid;1-phenyl-1-(trifluoromethyl)hydrazine
PubChem CID175005553
Molecular FormulaC9H9F3N2O4
Molecular Weight266.18 g/mol
Exact Mass266.05
IUPAC Nameoxalic acid;1-phenyl-1-(trifluoromethyl)hydrazine
SMILESNN(c1ccccc1)C(F)(F)F.O=C(O)C(=O)O
InChIInChI=1S/C7H7F3N2.C2H2O4/c8-7(9,10)12(11)6-4-2-1-3-5-6;3-1(4)2(5)6/h1-5H,11H2;(H,3,4)(H,5,6)
InChIKeyCSSOAAACJZBELV-UHFFFAOYSA-N
XLogP1.04
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.18
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N-diphenylaniline;2,2,2-trifluoroacetic acid
CID 162535406
(2S)-2,3,3,3-tetrafluoro-2-(N-fluoroanilino)propanoyl fluoride
CID 177311104
1,1-dimethyl-3-phenyl-3-(trifluoromethyl)urea
CID 15700483
2-methyl-N-phenyl-N-(trifluoromethyl)propanamide
CID 56944922
2,2,2-trifluoro-N-oxido-N-phenylacetamide
CID 88752204
hydrazine;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 159794587
palladium(2+);bis(2,2,2-trifluoro-N-oxido-N-phenylacetamide)
CID 88752203
phenyl(trifluoromethoxy)carbamic acid
CID 87790177
1-phenyl-1-(trifluoromethylsulfanyl)hydrazine
CID 57454069
N,N-diphenylaniline;trifluoromethanesulfonic acid
CID 86094513
1,1-diphenylurea
CID 174849888
N-chloro-N-(trifluoromethyl)aniline
CID 87317257

Frequently Asked Questions

What is the IUPAC name of oxalic acid;1-phenyl-1-(trifluoromethyl)hydrazine?
The IUPAC name of oxalic acid;1-phenyl-1-(trifluoromethyl)hydrazine (CID 175005553) is oxalic acid;1-phenyl-1-(trifluoromethyl)hydrazine.
What is the SMILES notation for oxalic acid;1-phenyl-1-(trifluoromethyl)hydrazine?
The canonical SMILES for oxalic acid;1-phenyl-1-(trifluoromethyl)hydrazine is NN(c1ccccc1)C(F)(F)F.O=C(O)C(=O)O.
What is the InChIKey of oxalic acid;1-phenyl-1-(trifluoromethyl)hydrazine?
The InChIKey is CSSOAAACJZBELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2.C2H2O4/c8-7(9,10)12(11)6-4-2-1-3-5-6;3-1(4)2(5)6/h1-5H,11H2;(H,3,4)(H,5,6).
What are the key properties of oxalic acid;1-phenyl-1-(trifluoromethyl)hydrazine?
oxalic acid;1-phenyl-1-(trifluoromethyl)hydrazine has a molecular weight of 266.18 g/mol, XLogP of 1.04, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;1-phenyl-1-(trifluoromethyl)hydrazine is sourced from PubChem (CID 175005553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).