[3,3-dimethyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-yl]hydrazine

C14H21F3N2O — CID 105296950

IUPAC[3,3-dimethyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-yl]hydrazine
SMILESCCC(C)(C)C(Cc1ccc(OC(F)(F)F)cc1)NN
InChIInChI=1S/C14H21F3N2O/c1-4-13(2,3)12(19-18)9-10-5-7-11(8-6-10)20-14(15,16)17/h5-8,12,19H,4,9,18H2,1-3H3
InChIKeyXEYYURPXOGFLMN-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.40
Rot. Bonds6

About [3,3-dimethyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-yl]hydrazine

[3,3-dimethyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-yl]hydrazine (PubChem CID 105296950) has the molecular formula C14H21F3N2O and a molecular weight of 290.33 g/mol. Its IUPAC name is [3,3-dimethyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-yl]hydrazine.

Molecular Properties

Compound Name[3,3-dimethyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-yl]hydrazine
PubChem CID105296950
Molecular FormulaC14H21F3N2O
Molecular Weight290.33 g/mol
Exact Mass290.16
IUPAC Name[3,3-dimethyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-yl]hydrazine
SMILESCCC(C)(C)C(Cc1ccc(OC(F)(F)F)cc1)NN
InChIInChI=1S/C14H21F3N2O/c1-4-13(2,3)12(19-18)9-10-5-7-11(8-6-10)20-14(15,16)17/h5-8,12,19H,4,9,18H2,1-3H3
InChIKeyXEYYURPXOGFLMN-UHFFFAOYSA-N
XLogP3.40
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 53.40
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

[4-methoxy-4-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-yl]hydrazine
CID 103025250
[1-ethylsulfanyl-3-[4-(trifluoromethoxy)phenyl]propan-2-yl]hydrazine
CID 105225207
[3-ethoxy-1-[4-(trifluoromethoxy)phenyl]pentan-2-yl]hydrazine
CID 105270915
2,2-dimethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]butan-1-amine
CID 103698439
1-[4-(trifluoromethoxy)phenyl]pent-4-en-2-ylhydrazine
CID 105269576
[1-(1-methylcyclopentyl)-2-[4-(trifluoromethoxy)phenyl]ethyl]hydrazine
CID 105296915
[1-(3-fluorophenyl)-3,3-dimethylpentan-2-yl]hydrazine
CID 105286476
N-tert-butyl-2-methyl-3-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 62529892
[1-(1H-1,2,4-triazol-5-yl)-2-[4-(trifluoromethoxy)phenyl]ethyl]hydrazine
CID 105230325
2-amino-3-[4-(trifluoromethoxy)phenyl]propan-1-ol
CID 64573058
[1-(3-methylthiophen-2-yl)-2-[4-(trifluoromethoxy)phenyl]ethyl]hydrazine
CID 105296937
2-bromo-3-[4-(trifluoromethoxy)phenyl]propanamide
CID 104512947

Frequently Asked Questions

What is the IUPAC name of [3,3-dimethyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-yl]hydrazine?
The IUPAC name of [3,3-dimethyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-yl]hydrazine (CID 105296950) is [3,3-dimethyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-yl]hydrazine.
What is the SMILES notation for [3,3-dimethyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-yl]hydrazine?
The canonical SMILES for [3,3-dimethyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-yl]hydrazine is CCC(C)(C)C(Cc1ccc(OC(F)(F)F)cc1)NN.
What is the InChIKey of [3,3-dimethyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-yl]hydrazine?
The InChIKey is XEYYURPXOGFLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O/c1-4-13(2,3)12(19-18)9-10-5-7-11(8-6-10)20-14(15,16)17/h5-8,12,19H,4,9,18H2,1-3H3.
What are the key properties of [3,3-dimethyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-yl]hydrazine?
[3,3-dimethyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-yl]hydrazine has a molecular weight of 290.33 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,3-dimethyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-yl]hydrazine is sourced from PubChem (CID 105296950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).