(1-chloro-1,1-difluorobut-3-en-2-yl)hydrazine

C4H7ClF2N2 — CID 105265350

IUPAC(1-chloro-1,1-difluorobut-3-en-2-yl)hydrazine
SMILESC=CC(NN)C(F)(F)Cl
InChIInChI=1S/C4H7ClF2N2/c1-2-3(9-8)4(5,6)7/h2-3,9H,1,8H2
InChIKeyLTXRVNDNNNJVQL-UHFFFAOYSA-N
MW156.56 g/mol
LogP0.84
Rot. Bonds3

About (1-chloro-1,1-difluorobut-3-en-2-yl)hydrazine

(1-chloro-1,1-difluorobut-3-en-2-yl)hydrazine (PubChem CID 105265350) has the molecular formula C4H7ClF2N2 and a molecular weight of 156.56 g/mol. Its IUPAC name is (1-chloro-1,1-difluorobut-3-en-2-yl)hydrazine.

Molecular Properties

Compound Name(1-chloro-1,1-difluorobut-3-en-2-yl)hydrazine
PubChem CID105265350
Molecular FormulaC4H7ClF2N2
Molecular Weight156.56 g/mol
Exact Mass156.03
IUPAC Name(1-chloro-1,1-difluorobut-3-en-2-yl)hydrazine
SMILESC=CC(NN)C(F)(F)Cl
InChIInChI=1S/C4H7ClF2N2/c1-2-3(9-8)4(5,6)7/h2-3,9H,1,8H2
InChIKeyLTXRVNDNNNJVQL-UHFFFAOYSA-N
XLogP0.84
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.56
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5,5,5-Trifluoropent-1-en-3-ylhydrazine
CID 105205886
(1-Chloro-1,1-difluorohex-5-en-2-yl)hydrazine
CID 105265457
(1-Chloro-1,1-difluoropent-4-en-2-yl)hydrazine
CID 105265522
1,1,1-Trifluorobut-3-en-2-ylhydrazine
CID 121603792
1,1-Difluorobut-3-en-2-ylhydrazine
CID 121603982

Frequently Asked Questions

What is the IUPAC name of (1-chloro-1,1-difluorobut-3-en-2-yl)hydrazine?
The IUPAC name of (1-chloro-1,1-difluorobut-3-en-2-yl)hydrazine (CID 105265350) is (1-chloro-1,1-difluorobut-3-en-2-yl)hydrazine.
What is the SMILES notation for (1-chloro-1,1-difluorobut-3-en-2-yl)hydrazine?
The canonical SMILES for (1-chloro-1,1-difluorobut-3-en-2-yl)hydrazine is C=CC(NN)C(F)(F)Cl.
What is the InChIKey of (1-chloro-1,1-difluorobut-3-en-2-yl)hydrazine?
The InChIKey is LTXRVNDNNNJVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7ClF2N2/c1-2-3(9-8)4(5,6)7/h2-3,9H,1,8H2.
What are the key properties of (1-chloro-1,1-difluorobut-3-en-2-yl)hydrazine?
(1-chloro-1,1-difluorobut-3-en-2-yl)hydrazine has a molecular weight of 156.56 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-chloro-1,1-difluorobut-3-en-2-yl)hydrazine is sourced from PubChem (CID 105265350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).