N'-(bromomethyl)-2,2,2-trifluoroacetohydrazide

C3H4BrF3N2O — CID 162600275

IUPACN'-(bromomethyl)-2,2,2-trifluoroacetohydrazide
SMILESO=C(NNCBr)C(F)(F)F
InChIInChI=1S/C3H4BrF3N2O/c4-1-8-9-2(10)3(5,6)7/h8H,1H2,(H,9,10)
InChIKeyCDFMACPBIZQWNE-UHFFFAOYSA-N
MW220.98 g/mol
LogP0.52
Rot. Bonds2

About N'-(bromomethyl)-2,2,2-trifluoroacetohydrazide

N'-(bromomethyl)-2,2,2-trifluoroacetohydrazide (PubChem CID 162600275) has the molecular formula C3H4BrF3N2O and a molecular weight of 220.98 g/mol. Its IUPAC name is N'-(bromomethyl)-2,2,2-trifluoroacetohydrazide.

Molecular Properties

Compound NameN'-(bromomethyl)-2,2,2-trifluoroacetohydrazide
PubChem CID162600275
Molecular FormulaC3H4BrF3N2O
Molecular Weight220.98 g/mol
Exact Mass219.95
IUPAC NameN'-(bromomethyl)-2,2,2-trifluoroacetohydrazide
SMILESO=C(NNCBr)C(F)(F)F
InChIInChI=1S/C3H4BrF3N2O/c4-1-8-9-2(10)3(5,6)7/h8H,1H2,(H,9,10)
InChIKeyCDFMACPBIZQWNE-UHFFFAOYSA-N
XLogP0.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.98
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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

1-propan-2-ylsulfanyl-3-[(2,2,2-trifluoroacetyl)amino]urea
CID 88662586
N-ethyl-2,2,2-trifluoroacetamide
CID 581108
2,2,2-trifluoro-N-(iodomethyl)acetamide
CID 87708484
4-oxo-4-[2-(2,2,2-trifluoroacetyl)hydrazinyl]but-2-enoic acid
CID 4161286
N-(4-bromo-2-methyl-3-oxobutyl)-2,2,2-trifluoroacetamide
CID 104701210
2-[(2,2,2-trifluoroacetyl)amino]ethylazanium
CID 36688932
3-amino-4-bromo-1,1,1-trifluorobutan-2-one
CID 19904779
N-(4-bromo-2-ethyl-2-methyl-3-oxobutyl)-2,2,2-trifluoroacetamide
CID 104701877
copper;1,1,1,5,5,5-hexafluoropentane-2,4-dione
CID 15360935
2,2-dimethyl-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]propanamide
CID 108537712
2,2,2-trifluoro-N-(2-sulfanylideneethyl)acetamide
CID 19079826
ethyl N-[[(2,2,2-trifluoroacetyl)amino]carbamothioyl]carbamate
CID 117062162

Frequently Asked Questions

What is the IUPAC name of N'-(bromomethyl)-2,2,2-trifluoroacetohydrazide?
The IUPAC name of N'-(bromomethyl)-2,2,2-trifluoroacetohydrazide (CID 162600275) is N'-(bromomethyl)-2,2,2-trifluoroacetohydrazide.
What is the SMILES notation for N'-(bromomethyl)-2,2,2-trifluoroacetohydrazide?
The canonical SMILES for N'-(bromomethyl)-2,2,2-trifluoroacetohydrazide is O=C(NNCBr)C(F)(F)F.
What is the InChIKey of N'-(bromomethyl)-2,2,2-trifluoroacetohydrazide?
The InChIKey is CDFMACPBIZQWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4BrF3N2O/c4-1-8-9-2(10)3(5,6)7/h8H,1H2,(H,9,10).
What are the key properties of N'-(bromomethyl)-2,2,2-trifluoroacetohydrazide?
N'-(bromomethyl)-2,2,2-trifluoroacetohydrazide has a molecular weight of 220.98 g/mol, XLogP of 0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(bromomethyl)-2,2,2-trifluoroacetohydrazide is sourced from PubChem (CID 162600275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).