(1,1,1-trifluoro-5-methylhex-5-en-3-yl)hydrazine

C7H13F3N2 — CID 105206128

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

About (1,1,1-trifluoro-5-methylhex-5-en-3-yl)hydrazine

(1,1,1-trifluoro-5-methylhex-5-en-3-yl)hydrazine (PubChem CID 105206128) has the molecular formula C7H13F3N2 and a molecular weight of 182.19 g/mol. Its IUPAC name is (1,1,1-trifluoro-5-methylhex-5-en-3-yl)hydrazine.

Molecular Properties

Compound Name(1,1,1-trifluoro-5-methylhex-5-en-3-yl)hydrazine
PubChem CID105206128
Molecular FormulaC7H13F3N2
Molecular Weight182.19 g/mol
Exact Mass182.10
IUPAC Name(1,1,1-trifluoro-5-methylhex-5-en-3-yl)hydrazine
SMILESC=C(C)CC(CC(F)(F)F)NN
InChIInChI=1S/C7H13F3N2/c1-5(2)3-6(12-11)4-7(8,9)10/h6,12H,1,3-4,11H2,2H3
InChIKeyXBPQOCUWQRFNAH-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
[5,5,5-Trifluoro-2-methyl-4-(trifluoromethyl)pent-1-en-3-yl]hydrazine
CID 103312853
(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-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-Trifluorohex-5-en-2-ylhydrazine
CID 105215684
(1,1,1-Trifluoro-4-methylpent-4-en-2-yl)hydrazine
CID 105215814
(1,1,1-Trifluoro-4-methylidenehexan-2-yl)hydrazine
CID 105215821
(1,1,1-Trifluoro-3-methylbut-3-en-2-yl)hydrazine
CID 105215823

Frequently Asked Questions

What is the IUPAC name of (1,1,1-trifluoro-5-methylhex-5-en-3-yl)hydrazine?
The IUPAC name of (1,1,1-trifluoro-5-methylhex-5-en-3-yl)hydrazine (CID 105206128) is (1,1,1-trifluoro-5-methylhex-5-en-3-yl)hydrazine.
What is the SMILES notation for (1,1,1-trifluoro-5-methylhex-5-en-3-yl)hydrazine?
The canonical SMILES for (1,1,1-trifluoro-5-methylhex-5-en-3-yl)hydrazine is C=C(C)CC(CC(F)(F)F)NN.
What is the InChIKey of (1,1,1-trifluoro-5-methylhex-5-en-3-yl)hydrazine?
The InChIKey is XBPQOCUWQRFNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2/c1-5(2)3-6(12-11)4-7(8,9)10/h6,12H,1,3-4,11H2,2H3.
What are the key properties of (1,1,1-trifluoro-5-methylhex-5-en-3-yl)hydrazine?
(1,1,1-trifluoro-5-methylhex-5-en-3-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-5-methylhex-5-en-3-yl)hydrazine is sourced from PubChem (CID 105206128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).