(1-chloro-1,1-difluoro-4-methylidenehexan-2-yl)hydrazine

C7H13ClF2N2 — CID 105265607

IUPAC(1-chloro-1,1-difluoro-4-methylidenehexan-2-yl)hydrazine
SMILESC=C(CC)CC(NN)C(F)(F)Cl
InChIInChI=1S/C7H13ClF2N2/c1-3-5(2)4-6(12-11)7(8,9)10/h6,12H,2-4,11H2,1H3
InChIKeyYTAIQMLSIJUBCQ-UHFFFAOYSA-N
MW198.64 g/mol
LogP2.01
Rot. Bonds5

About (1-chloro-1,1-difluoro-4-methylidenehexan-2-yl)hydrazine

(1-chloro-1,1-difluoro-4-methylidenehexan-2-yl)hydrazine (PubChem CID 105265607) has the molecular formula C7H13ClF2N2 and a molecular weight of 198.64 g/mol. Its IUPAC name is (1-chloro-1,1-difluoro-4-methylidenehexan-2-yl)hydrazine.

Molecular Properties

Compound Name(1-chloro-1,1-difluoro-4-methylidenehexan-2-yl)hydrazine
PubChem CID105265607
Molecular FormulaC7H13ClF2N2
Molecular Weight198.64 g/mol
Exact Mass198.07
IUPAC Name(1-chloro-1,1-difluoro-4-methylidenehexan-2-yl)hydrazine
SMILESC=C(CC)CC(NN)C(F)(F)Cl
InChIInChI=1S/C7H13ClF2N2/c1-3-5(2)4-6(12-11)7(8,9)10/h6,12H,2-4,11H2,1H3
InChIKeyYTAIQMLSIJUBCQ-UHFFFAOYSA-N
XLogP2.01
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.64
LogP ≤ 52.01
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-6-methylhept-6-en-3-yl)hydrazine
CID 105205974
(1,1,1-Trifluoro-5-methylhex-5-en-3-yl)hydrazine
CID 105206128
(1,1,1-Trifluoro-5-methylideneheptan-3-yl)hydrazine
CID 105206136
(1,1,1-Trifluoro-5-methylhex-5-en-2-yl)hydrazine
CID 105215672
(1,1,1-Trifluoro-4-methylpent-4-en-2-yl)hydrazine
CID 105215814
(1,1,1-Trifluoro-4-methylidenehexan-2-yl)hydrazine
CID 105215821
(6,6,6-Trifluoro-2-methylhex-1-en-3-yl)hydrazine
CID 105249076
(1,1-Difluoro-5-methylhex-5-en-2-yl)hydrazine
CID 105265079
(1,1-Difluoro-4-methylpent-4-en-2-yl)hydrazine
CID 105265225
(1,1-Difluoro-4-methylidenehexan-2-yl)hydrazine
CID 105265232
(1-Chloro-1,1-difluorohept-6-en-2-yl)hydrazine
CID 105265347
(1-Chloro-1,1-difluoro-5-methylhex-5-en-2-yl)hydrazine
CID 105265441

Frequently Asked Questions

What is the IUPAC name of (1-chloro-1,1-difluoro-4-methylidenehexan-2-yl)hydrazine?
The IUPAC name of (1-chloro-1,1-difluoro-4-methylidenehexan-2-yl)hydrazine (CID 105265607) is (1-chloro-1,1-difluoro-4-methylidenehexan-2-yl)hydrazine.
What is the SMILES notation for (1-chloro-1,1-difluoro-4-methylidenehexan-2-yl)hydrazine?
The canonical SMILES for (1-chloro-1,1-difluoro-4-methylidenehexan-2-yl)hydrazine is C=C(CC)CC(NN)C(F)(F)Cl.
What is the InChIKey of (1-chloro-1,1-difluoro-4-methylidenehexan-2-yl)hydrazine?
The InChIKey is YTAIQMLSIJUBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClF2N2/c1-3-5(2)4-6(12-11)7(8,9)10/h6,12H,2-4,11H2,1H3.
What are the key properties of (1-chloro-1,1-difluoro-4-methylidenehexan-2-yl)hydrazine?
(1-chloro-1,1-difluoro-4-methylidenehexan-2-yl)hydrazine has a molecular weight of 198.64 g/mol, XLogP of 2.01, 5 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-methylidenehexan-2-yl)hydrazine is sourced from PubChem (CID 105265607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).