3,3-difluoropropanehydrazide

C3H6F2N2O — CID 162600392

IUPAC3,3-difluoropropanehydrazide
SMILESNNC(=O)CC(F)F
InChIInChI=1S/C3H6F2N2O/c4-2(5)1-3(8)7-6/h2H,1,6H2,(H,7,8)
InChIKeyHVWKDYOHQRAJQT-UHFFFAOYSA-N
MW124.09 g/mol
LogP-0.37
Rot. Bonds2

About 3,3-difluoropropanehydrazide

3,3-difluoropropanehydrazide (PubChem CID 162600392) has the molecular formula C3H6F2N2O and a molecular weight of 124.09 g/mol. Its IUPAC name is 3,3-difluoropropanehydrazide.

Molecular Properties

Compound Name3,3-difluoropropanehydrazide
PubChem CID162600392
Molecular FormulaC3H6F2N2O
Molecular Weight124.09 g/mol
Exact Mass124.04
IUPAC Name3,3-difluoropropanehydrazide
SMILESNNC(=O)CC(F)F
InChIInChI=1S/C3H6F2N2O/c4-2(5)1-3(8)7-6/h2H,1,6H2,(H,7,8)
InChIKeyHVWKDYOHQRAJQT-UHFFFAOYSA-N
XLogP-0.37
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.09
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-phosphanylbutanehydrazide
CID 163485274
3,3-difluoro-N-propan-2-ylpropanamide
CID 177328037
2-aminobutanedihydrazide
CID 13018203
3-(4-hydrazinyl-4-oxobutan-2-yl)oxybutanehydrazide
CID 87665575
4-chloro-3-hydroxybutanehydrazide
CID 18471707
(3R)-5-hydrazinyl-3-methyl-5-oxopentanamide
CID 173105688
3-methylhexanedihydrazide
CID 141312622
3-ethyl-4-oxopentanehydrazide
CID 160685877
3-(aminomethyl)pentanehydrazide
CID 81079841
3-prop-2-enylhex-5-enehydrazide
CID 176837825
butanedihydrazide;hydrochloride
CID 54607274
3,5,5-trimethylhexanehydrazide
CID 142619235

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoropropanehydrazide?
The IUPAC name of 3,3-difluoropropanehydrazide (CID 162600392) is 3,3-difluoropropanehydrazide.
What is the SMILES notation for 3,3-difluoropropanehydrazide?
The canonical SMILES for 3,3-difluoropropanehydrazide is NNC(=O)CC(F)F.
What is the InChIKey of 3,3-difluoropropanehydrazide?
The InChIKey is HVWKDYOHQRAJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6F2N2O/c4-2(5)1-3(8)7-6/h2H,1,6H2,(H,7,8).
What are the key properties of 3,3-difluoropropanehydrazide?
3,3-difluoropropanehydrazide has a molecular weight of 124.09 g/mol, XLogP of -0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoropropanehydrazide is sourced from PubChem (CID 162600392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).