(1-chloro-1,1-difluoro-4-methylpent-3-en-2-yl)hydrazine

C6H11ClF2N2 — CID 105265640

IUPAC(1-chloro-1,1-difluoro-4-methylpent-3-en-2-yl)hydrazine
SMILESCC(C)=CC(NN)C(F)(F)Cl
InChIInChI=1S/C6H11ClF2N2/c1-4(2)3-5(11-10)6(7,8)9/h3,5,11H,10H2,1-2H3
InChIKeyXXKCBOLPZAUPEB-UHFFFAOYSA-N
MW184.62 g/mol
LogP1.62
Rot. Bonds3

About (1-chloro-1,1-difluoro-4-methylpent-3-en-2-yl)hydrazine

(1-chloro-1,1-difluoro-4-methylpent-3-en-2-yl)hydrazine (PubChem CID 105265640) has the molecular formula C6H11ClF2N2 and a molecular weight of 184.62 g/mol. Its IUPAC name is (1-chloro-1,1-difluoro-4-methylpent-3-en-2-yl)hydrazine.

Molecular Properties

Compound Name(1-chloro-1,1-difluoro-4-methylpent-3-en-2-yl)hydrazine
PubChem CID105265640
Molecular FormulaC6H11ClF2N2
Molecular Weight184.62 g/mol
Exact Mass184.06
IUPAC Name(1-chloro-1,1-difluoro-4-methylpent-3-en-2-yl)hydrazine
SMILESCC(C)=CC(NN)C(F)(F)Cl
InChIInChI=1S/C6H11ClF2N2/c1-4(2)3-5(11-10)6(7,8)9/h3,5,11H,10H2,1-2H3
InChIKeyXXKCBOLPZAUPEB-UHFFFAOYSA-N
XLogP1.62
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.62
LogP ≤ 51.62
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

[6-Chloro-6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]hydrazine
CID 149853227
1-methyl-2-[(Z)-1,1,1-trifluoropent-3-en-2-yl]hydrazine
CID 156452620
(1,1,1-Trifluoro-5-methylhex-4-en-3-yl)hydrazine
CID 105206169
(1,1,1-Trifluoro-4-methylpent-3-en-2-yl)hydrazine
CID 105215853
(1,1-Difluoro-4-methylpent-3-en-2-yl)hydrazine
CID 105265265
(1-Chloro-1,1-difluoro-3-methylbut-3-en-2-yl)hydrazine
CID 105265608
(2,2-Difluoro-5-methylhex-4-en-3-yl)hydrazine
CID 126985930

Frequently Asked Questions

What is the IUPAC name of (1-chloro-1,1-difluoro-4-methylpent-3-en-2-yl)hydrazine?
The IUPAC name of (1-chloro-1,1-difluoro-4-methylpent-3-en-2-yl)hydrazine (CID 105265640) is (1-chloro-1,1-difluoro-4-methylpent-3-en-2-yl)hydrazine.
What is the SMILES notation for (1-chloro-1,1-difluoro-4-methylpent-3-en-2-yl)hydrazine?
The canonical SMILES for (1-chloro-1,1-difluoro-4-methylpent-3-en-2-yl)hydrazine is CC(C)=CC(NN)C(F)(F)Cl.
What is the InChIKey of (1-chloro-1,1-difluoro-4-methylpent-3-en-2-yl)hydrazine?
The InChIKey is XXKCBOLPZAUPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClF2N2/c1-4(2)3-5(11-10)6(7,8)9/h3,5,11H,10H2,1-2H3.
What are the key properties of (1-chloro-1,1-difluoro-4-methylpent-3-en-2-yl)hydrazine?
(1-chloro-1,1-difluoro-4-methylpent-3-en-2-yl)hydrazine has a molecular weight of 184.62 g/mol, XLogP of 1.62, 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-4-methylpent-3-en-2-yl)hydrazine is sourced from PubChem (CID 105265640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).