[2-(trifluoromethyl)oxan-4-yl]hydrazine;hydrochloride

C6H12ClF3N2O — CID 129247987

IUPAC[2-(trifluoromethyl)oxan-4-yl]hydrazine;hydrochloride
SMILESCl.NNC1CCOC(C(F)(F)F)C1
InChIInChI=1S/C6H11F3N2O.ClH/c7-6(8,9)5-3-4(11-10)1-2-12-5;/h4-5,11H,1-3,10H2;1H
InChIKeyNKUASFCXBSHFOO-UHFFFAOYSA-N
MW220.62 g/mol
LogP0.98
Rot. Bonds1

About [2-(trifluoromethyl)oxan-4-yl]hydrazine;hydrochloride

[2-(trifluoromethyl)oxan-4-yl]hydrazine;hydrochloride (PubChem CID 129247987) has the molecular formula C6H12ClF3N2O and a molecular weight of 220.62 g/mol. Its IUPAC name is [2-(trifluoromethyl)oxan-4-yl]hydrazine;hydrochloride.

Molecular Properties

Compound Name[2-(trifluoromethyl)oxan-4-yl]hydrazine;hydrochloride
PubChem CID129247987
Molecular FormulaC6H12ClF3N2O
Molecular Weight220.62 g/mol
Exact Mass220.06
IUPAC Name[2-(trifluoromethyl)oxan-4-yl]hydrazine;hydrochloride
SMILESCl.NNC1CCOC(C(F)(F)F)C1
InChIInChI=1S/C6H11F3N2O.ClH/c7-6(8,9)5-3-4(11-10)1-2-12-5;/h4-5,11H,1-3,10H2;1H
InChIKeyNKUASFCXBSHFOO-UHFFFAOYSA-N
XLogP0.98
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.62
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

[6,6,6-Trifluoro-1-(2,2,2-trifluoroethoxy)hexan-3-yl]hydrazine
CID 103151649
[1-(2,2-Difluoroethoxy)-6,6,6-trifluorohexan-3-yl]hydrazine
CID 103151983
(6,6,6-Trifluoro-1-methoxyhexan-3-yl)hydrazine
CID 105206213
[5,5,5-Trifluoro-1-(oxan-2-yl)pentan-2-yl]hydrazine
CID 105267277
[6,6,6-Trifluoro-1-(oxan-2-yl)hexan-2-yl]hydrazine
CID 105267381
[1-(1,4-Dioxan-2-yl)-4,4,4-trifluorobutyl]hydrazine
CID 105313832
[2-(Trifluoromethyl)oxan-4-yl]hydrazine
CID 126980432
[4-(Trifluoromethoxy)cyclohexyl]hydrazine;hydrochloride
CID 177668706
(2-methyltetrahydro-2H-pyran-4-yl)hydrazine
CID 23123996
(2-Methyloxan-4-yl)hydrazine hydrochloride
CID 23123997
rel-[(2R,4S)-Tetrahydro-2-methyl-2H-pyran-4-yl]hydrazine
CID 55281462
[(2R,4R)-2-methyltetrahydropyran-4-yl]hydrazine
CID 55281463

Frequently Asked Questions

What is the IUPAC name of [2-(trifluoromethyl)oxan-4-yl]hydrazine;hydrochloride?
The IUPAC name of [2-(trifluoromethyl)oxan-4-yl]hydrazine;hydrochloride (CID 129247987) is [2-(trifluoromethyl)oxan-4-yl]hydrazine;hydrochloride.
What is the SMILES notation for [2-(trifluoromethyl)oxan-4-yl]hydrazine;hydrochloride?
The canonical SMILES for [2-(trifluoromethyl)oxan-4-yl]hydrazine;hydrochloride is Cl.NNC1CCOC(C(F)(F)F)C1.
What is the InChIKey of [2-(trifluoromethyl)oxan-4-yl]hydrazine;hydrochloride?
The InChIKey is NKUASFCXBSHFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2O.ClH/c7-6(8,9)5-3-4(11-10)1-2-12-5;/h4-5,11H,1-3,10H2;1H.
What are the key properties of [2-(trifluoromethyl)oxan-4-yl]hydrazine;hydrochloride?
[2-(trifluoromethyl)oxan-4-yl]hydrazine;hydrochloride has a molecular weight of 220.62 g/mol, XLogP of 0.98, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(trifluoromethyl)oxan-4-yl]hydrazine;hydrochloride is sourced from PubChem (CID 129247987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).