(1-chloro-1,1-difluoro-3-methylbut-3-en-2-yl)hydrazine

C5H9ClF2N2 — CID 105265608

IUPAC(1-chloro-1,1-difluoro-3-methylbut-3-en-2-yl)hydrazine
SMILESC=C(C)C(NN)C(F)(F)Cl
InChIInChI=1S/C5H9ClF2N2/c1-3(2)4(10-9)5(6,7)8/h4,10H,1,9H2,2H3
InChIKeyROWUAEABYHPCQQ-UHFFFAOYSA-N
MW170.59 g/mol
LogP1.23
Rot. Bonds3

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

(1-chloro-1,1-difluoro-3-methylbut-3-en-2-yl)hydrazine (PubChem CID 105265608) has the molecular formula C5H9ClF2N2 and a molecular weight of 170.59 g/mol. Its IUPAC name is (1-chloro-1,1-difluoro-3-methylbut-3-en-2-yl)hydrazine.

Molecular Properties

Compound Name(1-chloro-1,1-difluoro-3-methylbut-3-en-2-yl)hydrazine
PubChem CID105265608
Molecular FormulaC5H9ClF2N2
Molecular Weight170.59 g/mol
Exact Mass170.04
IUPAC Name(1-chloro-1,1-difluoro-3-methylbut-3-en-2-yl)hydrazine
SMILESC=C(C)C(NN)C(F)(F)Cl
InChIInChI=1S/C5H9ClF2N2/c1-3(2)4(10-9)5(6,7)8/h4,10H,1,9H2,2H3
InChIKeyROWUAEABYHPCQQ-UHFFFAOYSA-N
XLogP1.23
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.59
LogP ≤ 51.23
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

(1,1,1-Trifluoro-3-methylbut-3-en-2-yl)hydrazine
CID 105215823
(1,1-Difluoro-3-methylbut-3-en-2-yl)hydrazine
CID 105265234
(1-Chloro-1,1-difluoro-5-methylhex-5-en-2-yl)hydrazine
CID 105265441
(1-Chloro-1,1-difluoro-4-methylpent-4-en-2-yl)hydrazine
CID 105265599
(1-Chloro-1,1-difluoro-4-methylidenehexan-2-yl)hydrazine
CID 105265607
(1-Chloro-1,1-difluoro-4-methylpent-3-en-2-yl)hydrazine
CID 105265640
3-(Trifluoromethyl)but-3-en-2-ylhydrazine
CID 130565177

Frequently Asked Questions

What is the IUPAC name of (1-chloro-1,1-difluoro-3-methylbut-3-en-2-yl)hydrazine?
The IUPAC name of (1-chloro-1,1-difluoro-3-methylbut-3-en-2-yl)hydrazine (CID 105265608) is (1-chloro-1,1-difluoro-3-methylbut-3-en-2-yl)hydrazine.
What is the SMILES notation for (1-chloro-1,1-difluoro-3-methylbut-3-en-2-yl)hydrazine?
The canonical SMILES for (1-chloro-1,1-difluoro-3-methylbut-3-en-2-yl)hydrazine is C=C(C)C(NN)C(F)(F)Cl.
What is the InChIKey of (1-chloro-1,1-difluoro-3-methylbut-3-en-2-yl)hydrazine?
The InChIKey is ROWUAEABYHPCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9ClF2N2/c1-3(2)4(10-9)5(6,7)8/h4,10H,1,9H2,2H3.
What are the key properties of (1-chloro-1,1-difluoro-3-methylbut-3-en-2-yl)hydrazine?
(1-chloro-1,1-difluoro-3-methylbut-3-en-2-yl)hydrazine has a molecular weight of 170.59 g/mol, XLogP of 1.23, 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-difluoro-3-methylbut-3-en-2-yl)hydrazine is sourced from PubChem (CID 105265608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).