(1,1,1-trifluoro-4-methylidenehexan-2-yl)hydrazine

C7H13F3N2 — CID 105215821

IUPAC(1,1,1-trifluoro-4-methylidenehexan-2-yl)hydrazine
SMILESC=C(CC)CC(NN)C(F)(F)F
InChIInChI=1S/C7H13F3N2/c1-3-5(2)4-6(12-11)7(8,9)10/h6,12H,2-4,11H2,1H3
InChIKeyCSVNGLQCTKPKCR-UHFFFAOYSA-N
MW182.19 g/mol
LogP1.74
Rot. Bonds4

About (1,1,1-trifluoro-4-methylidenehexan-2-yl)hydrazine

(1,1,1-trifluoro-4-methylidenehexan-2-yl)hydrazine (PubChem CID 105215821) has the molecular formula C7H13F3N2 and a molecular weight of 182.19 g/mol. Its IUPAC name is (1,1,1-trifluoro-4-methylidenehexan-2-yl)hydrazine.

Molecular Properties

Compound Name(1,1,1-trifluoro-4-methylidenehexan-2-yl)hydrazine
PubChem CID105215821
Molecular FormulaC7H13F3N2
Molecular Weight182.19 g/mol
Exact Mass182.10
IUPAC Name(1,1,1-trifluoro-4-methylidenehexan-2-yl)hydrazine
SMILESC=C(CC)CC(NN)C(F)(F)F
InChIInChI=1S/C7H13F3N2/c1-3-5(2)4-6(12-11)7(8,9)10/h6,12H,2-4,11H2,1H3
InChIKeyCSVNGLQCTKPKCR-UHFFFAOYSA-N
XLogP1.74
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-5-methyl-2-(trifluoromethyl)hex-5-en-3-yl]hydrazine
CID 103312851
[1,1,1-Trifluoro-5-methylidene-2-(trifluoromethyl)heptan-3-yl]hydrazine
CID 103312854
[1,1,1-Trifluoro-6-methyl-2-(trifluoromethyl)hept-6-en-3-yl]hydrazine
CID 103312910
1,1,1-Trifluorooct-7-en-3-ylhydrazine
CID 105205883
(1,1,1-Trifluoro-6-methylhept-6-en-3-yl)hydrazine
CID 105205974
1,1,1-Trifluorohept-6-en-3-ylhydrazine
CID 105205989
(1,1,1-Trifluoro-5-methylhex-5-en-3-yl)hydrazine
CID 105206128
(1,1,1-Trifluoro-5-methylideneheptan-3-yl)hydrazine
CID 105206136
(5,5,5-Trifluoro-2-methylpent-1-en-3-yl)hydrazine
CID 105206138
1,1,1-Trifluorohept-6-en-2-ylhydrazine
CID 105215585
(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

Frequently Asked Questions

What is the IUPAC name of (1,1,1-trifluoro-4-methylidenehexan-2-yl)hydrazine?
The IUPAC name of (1,1,1-trifluoro-4-methylidenehexan-2-yl)hydrazine (CID 105215821) is (1,1,1-trifluoro-4-methylidenehexan-2-yl)hydrazine.
What is the SMILES notation for (1,1,1-trifluoro-4-methylidenehexan-2-yl)hydrazine?
The canonical SMILES for (1,1,1-trifluoro-4-methylidenehexan-2-yl)hydrazine is C=C(CC)CC(NN)C(F)(F)F.
What is the InChIKey of (1,1,1-trifluoro-4-methylidenehexan-2-yl)hydrazine?
The InChIKey is CSVNGLQCTKPKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2/c1-3-5(2)4-6(12-11)7(8,9)10/h6,12H,2-4,11H2,1H3.
What are the key properties of (1,1,1-trifluoro-4-methylidenehexan-2-yl)hydrazine?
(1,1,1-trifluoro-4-methylidenehexan-2-yl)hydrazine has a molecular weight of 182.19 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1,1-trifluoro-4-methylidenehexan-2-yl)hydrazine is sourced from PubChem (CID 105215821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).