(1,1,1-trifluoro-5-methylhex-4-en-3-yl)hydrazine

C7H13F3N2 — CID 105206169

IUPAC(1,1,1-trifluoro-5-methylhex-4-en-3-yl)hydrazine
SMILESCC(C)=CC(CC(F)(F)F)NN
InChIInChI=1S/C7H13F3N2/c1-5(2)3-6(12-11)4-7(8,9)10/h3,6,12H,4,11H2,1-2H3
InChIKeyXHFUSBGSAZBKNN-UHFFFAOYSA-N
MW182.19 g/mol
LogP1.74
Rot. Bonds3

About (1,1,1-trifluoro-5-methylhex-4-en-3-yl)hydrazine

(1,1,1-trifluoro-5-methylhex-4-en-3-yl)hydrazine (PubChem CID 105206169) has the molecular formula C7H13F3N2 and a molecular weight of 182.19 g/mol. Its IUPAC name is (1,1,1-trifluoro-5-methylhex-4-en-3-yl)hydrazine.

Molecular Properties

Compound Name(1,1,1-trifluoro-5-methylhex-4-en-3-yl)hydrazine
PubChem CID105206169
Molecular FormulaC7H13F3N2
Molecular Weight182.19 g/mol
Exact Mass182.10
IUPAC Name(1,1,1-trifluoro-5-methylhex-4-en-3-yl)hydrazine
SMILESCC(C)=CC(CC(F)(F)F)NN
InChIInChI=1S/C7H13F3N2/c1-5(2)3-6(12-11)4-7(8,9)10/h3,6,12H,4,11H2,1-2H3
InChIKeyXHFUSBGSAZBKNN-UHFFFAOYSA-N
XLogP1.74
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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

(E)-6,6-difluoro-2-methylhex-2-ene-1,5-diamine
CID 88698831
1,1,1-Trifluorohex-4-en-2-ylhydrazine
CID 126728185
(6,6-Difluorocyclohexa-2,4-dien-1-yl)hydrazine
CID 151261186
1-[(Z)-7,7-difluoro-3-methylidenehept-4-en-2-yl]-2-methylhydrazine
CID 155273413
1-methyl-2-[(Z)-1,1,1-trifluoropent-3-en-2-yl]hydrazine
CID 156452620
[(Z)-5,5-difluoro-2-methyl-4-methylidenehex-2-enyl]hydrazine
CID 166833684
[1,1,1-Trifluoro-5-methyl-2-(trifluoromethyl)hex-4-en-3-yl]hydrazine
CID 103312852
(5,5,5-Trifluoro-2-methylpent-1-en-3-yl)hydrazine
CID 105206138
(1,1,1-Trifluoro-4-methylpent-4-en-2-yl)hydrazine
CID 105215814
(1,1,1-Trifluoro-3-methylbut-3-en-2-yl)hydrazine
CID 105215823
(1,1,1-Trifluoro-4-methylpent-3-en-2-yl)hydrazine
CID 105215853
(6,6,6-Trifluoro-2-methylhex-1-en-3-yl)hydrazine
CID 105249076

Frequently Asked Questions

What is the IUPAC name of (1,1,1-trifluoro-5-methylhex-4-en-3-yl)hydrazine?
The IUPAC name of (1,1,1-trifluoro-5-methylhex-4-en-3-yl)hydrazine (CID 105206169) is (1,1,1-trifluoro-5-methylhex-4-en-3-yl)hydrazine.
What is the SMILES notation for (1,1,1-trifluoro-5-methylhex-4-en-3-yl)hydrazine?
The canonical SMILES for (1,1,1-trifluoro-5-methylhex-4-en-3-yl)hydrazine is CC(C)=CC(CC(F)(F)F)NN.
What is the InChIKey of (1,1,1-trifluoro-5-methylhex-4-en-3-yl)hydrazine?
The InChIKey is XHFUSBGSAZBKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2/c1-5(2)3-6(12-11)4-7(8,9)10/h3,6,12H,4,11H2,1-2H3.
What are the key properties of (1,1,1-trifluoro-5-methylhex-4-en-3-yl)hydrazine?
(1,1,1-trifluoro-5-methylhex-4-en-3-yl)hydrazine has a molecular weight of 182.19 g/mol, XLogP of 1.74, 3 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-4-en-3-yl)hydrazine is sourced from PubChem (CID 105206169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).