1,1,1-trifluorohexan-3-ylhydrazine

C6H13F3N2 — CID 105205885

IUPAC1,1,1-trifluorohexan-3-ylhydrazine
SMILESCCCC(CC(F)(F)F)NN
InChIInChI=1S/C6H13F3N2/c1-2-3-5(11-10)4-6(7,8)9/h5,11H,2-4,10H2,1H3
InChIKeyLIKGCGQLZCWIIS-UHFFFAOYSA-N
MW170.18 g/mol
LogP1.57
Rot. Bonds4

About 1,1,1-trifluorohexan-3-ylhydrazine

1,1,1-trifluorohexan-3-ylhydrazine (PubChem CID 105205885) has the molecular formula C6H13F3N2 and a molecular weight of 170.18 g/mol. Its IUPAC name is 1,1,1-trifluorohexan-3-ylhydrazine.

Molecular Properties

Compound Name1,1,1-trifluorohexan-3-ylhydrazine
PubChem CID105205885
Molecular FormulaC6H13F3N2
Molecular Weight170.18 g/mol
Exact Mass170.10
IUPAC Name1,1,1-trifluorohexan-3-ylhydrazine
SMILESCCCC(CC(F)(F)F)NN
InChIInChI=1S/C6H13F3N2/c1-2-3-5(11-10)4-6(7,8)9/h5,11H,2-4,10H2,1H3
InChIKeyLIKGCGQLZCWIIS-UHFFFAOYSA-N
XLogP1.57
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.18
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,1,1,6,6,6-hexafluorohexan-3-ylhydrazine
CID 105205847
8,8,8-trifluorooctan-4-ylhydrazine
CID 105202106
(4,4,4-trifluoro-1-propoxybutan-2-yl)hydrazine
CID 105205872
(1,1,1-trifluoro-6,6-dimethylheptan-4-yl)hydrazine
CID 105220163
(1-cyclopropyl-4,4,4-trifluorobutan-2-yl)hydrazine
CID 105205837
(4,4,4-trifluoro-1-propan-2-yloxybutan-2-yl)hydrazine
CID 105206152
2,2-dimethyltridecan-4-ylhydrazine
CID 105220297
N-ethyl-1,1,1-trifluoroheptan-4-amine
CID 64567008
[(3R)-2,2-dimethylhexan-3-yl]hydrazine
CID 124537822
[1-(3,5-dimethylphenyl)-4,4,4-trifluorobutan-2-yl]hydrazine
CID 105205945
(2-methoxy-2-methyloctan-4-yl)hydrazine
CID 103025232
1-cyclopentyl-4,4,4-trifluoro-N-propylbutan-2-amine
CID 62604821

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluorohexan-3-ylhydrazine?
The IUPAC name of 1,1,1-trifluorohexan-3-ylhydrazine (CID 105205885) is 1,1,1-trifluorohexan-3-ylhydrazine.
What is the SMILES notation for 1,1,1-trifluorohexan-3-ylhydrazine?
The canonical SMILES for 1,1,1-trifluorohexan-3-ylhydrazine is CCCC(CC(F)(F)F)NN.
What is the InChIKey of 1,1,1-trifluorohexan-3-ylhydrazine?
The InChIKey is LIKGCGQLZCWIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F3N2/c1-2-3-5(11-10)4-6(7,8)9/h5,11H,2-4,10H2,1H3.
What are the key properties of 1,1,1-trifluorohexan-3-ylhydrazine?
1,1,1-trifluorohexan-3-ylhydrazine has a molecular weight of 170.18 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluorohexan-3-ylhydrazine is sourced from PubChem (CID 105205885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).