[5-methyl-1-[4-(trifluoromethyl)phenyl]hexan-2-yl]hydrazine

C14H21F3N2 — CID 105207598

IUPAC[5-methyl-1-[4-(trifluoromethyl)phenyl]hexan-2-yl]hydrazine
SMILESCC(C)CCC(Cc1ccc(C(F)(F)F)cc1)NN
InChIInChI=1S/C14H21F3N2/c1-10(2)3-8-13(19-18)9-11-4-6-12(7-5-11)14(15,16)17/h4-7,10,13,19H,3,8-9,18H2,1-2H3
InChIKeyPOPBTIOKVJMXQP-UHFFFAOYSA-N
MW274.33 g/mol
LogP3.52
Rot. Bonds6

About [5-methyl-1-[4-(trifluoromethyl)phenyl]hexan-2-yl]hydrazine

[5-methyl-1-[4-(trifluoromethyl)phenyl]hexan-2-yl]hydrazine (PubChem CID 105207598) has the molecular formula C14H21F3N2 and a molecular weight of 274.33 g/mol. Its IUPAC name is [5-methyl-1-[4-(trifluoromethyl)phenyl]hexan-2-yl]hydrazine.

Molecular Properties

Compound Name[5-methyl-1-[4-(trifluoromethyl)phenyl]hexan-2-yl]hydrazine
PubChem CID105207598
Molecular FormulaC14H21F3N2
Molecular Weight274.33 g/mol
Exact Mass274.17
IUPAC Name[5-methyl-1-[4-(trifluoromethyl)phenyl]hexan-2-yl]hydrazine
SMILESCC(C)CCC(Cc1ccc(C(F)(F)F)cc1)NN
InChIInChI=1S/C14H21F3N2/c1-10(2)3-8-13(19-18)9-11-4-6-12(7-5-11)14(15,16)17/h4-7,10,13,19H,3,8-9,18H2,1-2H3
InChIKeyPOPBTIOKVJMXQP-UHFFFAOYSA-N
XLogP3.52
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 53.52
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

3-hydrazinyl-N,N-dimethyl-4-[4-(trifluoromethyl)phenyl]butan-1-amine
CID 105259272
[1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-2-yl]hydrazine
CID 105195282
[4-(2-methoxyethoxy)-1-[4-(trifluoromethyl)phenyl]butan-2-yl]hydrazine
CID 102929755
[5,5,5-trifluoro-1-(4-methylphenyl)pentan-2-yl]hydrazine
CID 105211232
[1-(4-ethylphenyl)-5,5,5-trifluoropentan-2-yl]hydrazine
CID 105248876
5,5,5-trifluoro-N-methyl-1-[4-(trifluoromethyl)phenyl]pentan-2-amine
CID 79953449
[1-(2-methyltetrazol-5-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]hydrazine
CID 107066944
(6-methyl-1-pyridin-4-ylheptan-2-yl)hydrazine
CID 105212566
[5-methoxy-3-methyl-1-[4-(trifluoromethyl)phenyl]pentan-2-yl]hydrazine
CID 105337979
[1-(2,3-dihydro-1H-inden-5-yl)-5-methylhexan-2-yl]hydrazine
CID 105207475
N-methyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine
CID 55040773
N-ethyl-5,5,5-trifluoro-1-[4-(trifluoromethyl)phenyl]pentan-2-amine
CID 79954040

Frequently Asked Questions

What is the IUPAC name of [5-methyl-1-[4-(trifluoromethyl)phenyl]hexan-2-yl]hydrazine?
The IUPAC name of [5-methyl-1-[4-(trifluoromethyl)phenyl]hexan-2-yl]hydrazine (CID 105207598) is [5-methyl-1-[4-(trifluoromethyl)phenyl]hexan-2-yl]hydrazine.
What is the SMILES notation for [5-methyl-1-[4-(trifluoromethyl)phenyl]hexan-2-yl]hydrazine?
The canonical SMILES for [5-methyl-1-[4-(trifluoromethyl)phenyl]hexan-2-yl]hydrazine is CC(C)CCC(Cc1ccc(C(F)(F)F)cc1)NN.
What is the InChIKey of [5-methyl-1-[4-(trifluoromethyl)phenyl]hexan-2-yl]hydrazine?
The InChIKey is POPBTIOKVJMXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2/c1-10(2)3-8-13(19-18)9-11-4-6-12(7-5-11)14(15,16)17/h4-7,10,13,19H,3,8-9,18H2,1-2H3.
What are the key properties of [5-methyl-1-[4-(trifluoromethyl)phenyl]hexan-2-yl]hydrazine?
[5-methyl-1-[4-(trifluoromethyl)phenyl]hexan-2-yl]hydrazine has a molecular weight of 274.33 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-1-[4-(trifluoromethyl)phenyl]hexan-2-yl]hydrazine is sourced from PubChem (CID 105207598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).