hydroxy (1Z)-2,2-difluoro-N-methylethanehydrazonate

C3H6F2N2O2 — CID 172962208

IUPAChydroxy (1Z)-2,2-difluoro-N-methylethanehydrazonate
SMILESCN/N=C(\OO)C(F)F
InChIInChI=1S/C3H6F2N2O2/c1-6-7-3(9-8)2(4)5/h2,6,8H,1H3/b7-3-
InChIKeyFBIGNKVIOMTLRE-CLTKARDFSA-N
MW140.09 g/mol
LogP0.27
Rot. Bonds2

About hydroxy (1Z)-2,2-difluoro-N-methylethanehydrazonate

hydroxy (1Z)-2,2-difluoro-N-methylethanehydrazonate (PubChem CID 172962208) has the molecular formula C3H6F2N2O2 and a molecular weight of 140.09 g/mol. Its IUPAC name is hydroxy (1Z)-2,2-difluoro-N-methylethanehydrazonate.

Molecular Properties

Compound Namehydroxy (1Z)-2,2-difluoro-N-methylethanehydrazonate
PubChem CID172962208
Molecular FormulaC3H6F2N2O2
Molecular Weight140.09 g/mol
Exact Mass140.04
IUPAC Namehydroxy (1Z)-2,2-difluoro-N-methylethanehydrazonate
SMILESCN/N=C(\OO)C(F)F
InChIInChI=1S/C3H6F2N2O2/c1-6-7-3(9-8)2(4)5/h2,6,8H,1H3/b7-3-
InChIKeyFBIGNKVIOMTLRE-CLTKARDFSA-N
XLogP0.27
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.09
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

methyl (1Z)-N,2-dimethylpropanehydrazonate
CID 139517370
N-[(Z)-(4,4-difluoro-3-iminobutan-2-ylidene)amino]methanamine
CID 59444346
N-[3-(methylhydrazinylidene)butan-2-ylideneamino]methanamine
CID 6850505
N-methoxypropan-2-imine;N-(propan-2-ylideneamino)methanamine
CID 158424207
ethane;methyl (1Z)-N-methylethanehydrazonate
CID 167502195
N-(diethoxymethylideneamino)methanamine
CID 23269000
N'-(methylamino)carbamimidate
CID 59074023
methyl 4,4-difluoro-3-oxobutanoate
CID 13179258
tert-butyl N-methylethanehydrazonate
CID 159503466
(E,3E)-3-(difluoromethylimino)-1-methoxy-2-methylprop-1-en-1-amine
CID 156818865
(3Z)-3-(methylhydrazinylidene)butane-2-thione
CID 146613902
N-[(Z)-3-methylbut-3-en-2-ylideneamino]methanamine
CID 88948516

Frequently Asked Questions

What is the IUPAC name of hydroxy (1Z)-2,2-difluoro-N-methylethanehydrazonate?
The IUPAC name of hydroxy (1Z)-2,2-difluoro-N-methylethanehydrazonate (CID 172962208) is hydroxy (1Z)-2,2-difluoro-N-methylethanehydrazonate.
What is the SMILES notation for hydroxy (1Z)-2,2-difluoro-N-methylethanehydrazonate?
The canonical SMILES for hydroxy (1Z)-2,2-difluoro-N-methylethanehydrazonate is CN/N=C(\OO)C(F)F.
What is the InChIKey of hydroxy (1Z)-2,2-difluoro-N-methylethanehydrazonate?
The InChIKey is FBIGNKVIOMTLRE-CLTKARDFSA-N. The full InChI is InChI=1S/C3H6F2N2O2/c1-6-7-3(9-8)2(4)5/h2,6,8H,1H3/b7-3-.
What are the key properties of hydroxy (1Z)-2,2-difluoro-N-methylethanehydrazonate?
hydroxy (1Z)-2,2-difluoro-N-methylethanehydrazonate has a molecular weight of 140.09 g/mol, XLogP of 0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy (1Z)-2,2-difluoro-N-methylethanehydrazonate is sourced from PubChem (CID 172962208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).