[4-methoxy-4-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-yl]hydrazine

C14H21F3N2O2 — CID 103025250

IUPAC[4-methoxy-4-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-yl]hydrazine
SMILESCOC(C)(C)CC(Cc1ccc(OC(F)(F)F)cc1)NN
InChIInChI=1S/C14H21F3N2O2/c1-13(2,20-3)9-11(19-18)8-10-4-6-12(7-5-10)21-14(15,16)17/h4-7,11,19H,8-9,18H2,1-3H3
InChIKeyNKIYVPYGPQMKHM-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.77
Rot. Bonds7

About [4-methoxy-4-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-yl]hydrazine

[4-methoxy-4-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-yl]hydrazine (PubChem CID 103025250) has the molecular formula C14H21F3N2O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is [4-methoxy-4-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-yl]hydrazine.

Molecular Properties

Compound Name[4-methoxy-4-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-yl]hydrazine
PubChem CID103025250
Molecular FormulaC14H21F3N2O2
Molecular Weight306.33 g/mol
Exact Mass306.16
IUPAC Name[4-methoxy-4-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-yl]hydrazine
SMILESCOC(C)(C)CC(Cc1ccc(OC(F)(F)F)cc1)NN
InChIInChI=1S/C14H21F3N2O2/c1-13(2,20-3)9-11(19-18)8-10-4-6-12(7-5-10)21-14(15,16)17/h4-7,11,19H,8-9,18H2,1-3H3
InChIKeyNKIYVPYGPQMKHM-UHFFFAOYSA-N
XLogP2.77
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [4-methoxy-4-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-yl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-ethylsulfanyl-3-[4-(trifluoromethoxy)phenyl]propan-2-yl]hydrazine
CID 105225207
1-[4-(trifluoromethoxy)phenyl]pent-4-en-2-ylhydrazine
CID 105269576
[3,3-dimethyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-yl]hydrazine
CID 105296950
1,1-dimethoxy-3-[4-(trifluoromethoxy)phenyl]propan-2-amine
CID 79492941
[1-(3-bromophenyl)-4-methoxy-4-methylpentan-2-yl]hydrazine
CID 103025177
5,5,5-trifluoro-N-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-amine
CID 79954567
3-methoxy-N-methyl-1-[4-(trifluoromethoxy)phenyl]butan-2-amine
CID 79616456
1-tert-butylsulfanyl-3-[4-(trifluoromethoxy)phenyl]propan-2-amine
CID 65132270
[1-(1-methylcyclopentyl)-2-[4-(trifluoromethoxy)phenyl]ethyl]hydrazine
CID 105296915
[3-ethoxy-1-[4-(trifluoromethoxy)phenyl]pentan-2-yl]hydrazine
CID 105270915
[1-(4-tert-butylphenyl)-3-methoxypropan-2-yl]hydrazine
CID 105207262
1-propan-2-yloxy-3-[4-(trifluoromethoxy)phenyl]propan-2-amine
CID 105136604

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-4-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-yl]hydrazine?
The IUPAC name of [4-methoxy-4-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-yl]hydrazine (CID 103025250) is [4-methoxy-4-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-yl]hydrazine.
What is the SMILES notation for [4-methoxy-4-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-yl]hydrazine?
The canonical SMILES for [4-methoxy-4-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-yl]hydrazine is COC(C)(C)CC(Cc1ccc(OC(F)(F)F)cc1)NN.
What is the InChIKey of [4-methoxy-4-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-yl]hydrazine?
The InChIKey is NKIYVPYGPQMKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O2/c1-13(2,20-3)9-11(19-18)8-10-4-6-12(7-5-10)21-14(15,16)17/h4-7,11,19H,8-9,18H2,1-3H3.
What are the key properties of [4-methoxy-4-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-yl]hydrazine?
[4-methoxy-4-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-yl]hydrazine has a molecular weight of 306.33 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-4-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-yl]hydrazine is sourced from PubChem (CID 103025250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).