[4-(2-methoxyethoxy)-1-[4-(trifluoromethyl)phenyl]butan-2-yl]hydrazine

C14H21F3N2O2 — CID 102929755

IUPAC[4-(2-methoxyethoxy)-1-[4-(trifluoromethyl)phenyl]butan-2-yl]hydrazine
SMILESCOCCOCCC(Cc1ccc(C(F)(F)F)cc1)NN
InChIInChI=1S/C14H21F3N2O2/c1-20-8-9-21-7-6-13(19-18)10-11-2-4-12(5-3-11)14(15,16)17/h2-5,13,19H,6-10,18H2,1H3
InChIKeyDABJUACVFQPEMY-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.13
Rot. Bonds9

About [4-(2-methoxyethoxy)-1-[4-(trifluoromethyl)phenyl]butan-2-yl]hydrazine

[4-(2-methoxyethoxy)-1-[4-(trifluoromethyl)phenyl]butan-2-yl]hydrazine (PubChem CID 102929755) has the molecular formula C14H21F3N2O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is [4-(2-methoxyethoxy)-1-[4-(trifluoromethyl)phenyl]butan-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(2-methoxyethoxy)-1-[4-(trifluoromethyl)phenyl]butan-2-yl]hydrazine
PubChem CID102929755
Molecular FormulaC14H21F3N2O2
Molecular Weight306.33 g/mol
Exact Mass306.16
IUPAC Name[4-(2-methoxyethoxy)-1-[4-(trifluoromethyl)phenyl]butan-2-yl]hydrazine
SMILESCOCCOCCC(Cc1ccc(C(F)(F)F)cc1)NN
InChIInChI=1S/C14H21F3N2O2/c1-20-8-9-21-7-6-13(19-18)10-11-2-4-12(5-3-11)14(15,16)17/h2-5,13,19H,6-10,18H2,1H3
InChIKeyDABJUACVFQPEMY-UHFFFAOYSA-N
XLogP2.13
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[5-methyl-1-[4-(trifluoromethyl)phenyl]hexan-2-yl]hydrazine
CID 105207598
[1-(3,4-dichlorophenyl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine
CID 102929753
[1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-2-yl]hydrazine
CID 105195282
3-hydrazinyl-N,N-dimethyl-4-[4-(trifluoromethyl)phenyl]butan-1-amine
CID 105259272
[5-methoxy-3-methyl-1-[4-(trifluoromethyl)phenyl]pentan-2-yl]hydrazine
CID 105337979
[1-(2-methoxyethoxy)-3-[3-(trifluoromethyl)phenyl]propan-2-yl]hydrazine
CID 114033159
[3-(2-methoxyethoxy)-1-[2-methyl-4-(trifluoromethyl)phenyl]propyl]hydrazine
CID 102930027
[1-(4-tert-butylphenyl)-3-methoxypropan-2-yl]hydrazine
CID 105207262
4-methoxy-1-[4-(trifluoromethyl)phenyl]butan-2-ol
CID 55095519
1-(2-bromo-4-methoxybutyl)-4-(trifluoromethyl)benzene
CID 63018737
[1-(4-chlorophenyl)-4-propoxybutan-2-yl]hydrazine
CID 105283291
[1-(3,4-difluorophenyl)-4-methoxybutan-2-yl]hydrazine
CID 105206458

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyethoxy)-1-[4-(trifluoromethyl)phenyl]butan-2-yl]hydrazine?
The IUPAC name of [4-(2-methoxyethoxy)-1-[4-(trifluoromethyl)phenyl]butan-2-yl]hydrazine (CID 102929755) is [4-(2-methoxyethoxy)-1-[4-(trifluoromethyl)phenyl]butan-2-yl]hydrazine.
What is the SMILES notation for [4-(2-methoxyethoxy)-1-[4-(trifluoromethyl)phenyl]butan-2-yl]hydrazine?
The canonical SMILES for [4-(2-methoxyethoxy)-1-[4-(trifluoromethyl)phenyl]butan-2-yl]hydrazine is COCCOCCC(Cc1ccc(C(F)(F)F)cc1)NN.
What is the InChIKey of [4-(2-methoxyethoxy)-1-[4-(trifluoromethyl)phenyl]butan-2-yl]hydrazine?
The InChIKey is DABJUACVFQPEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O2/c1-20-8-9-21-7-6-13(19-18)10-11-2-4-12(5-3-11)14(15,16)17/h2-5,13,19H,6-10,18H2,1H3.
What are the key properties of [4-(2-methoxyethoxy)-1-[4-(trifluoromethyl)phenyl]butan-2-yl]hydrazine?
[4-(2-methoxyethoxy)-1-[4-(trifluoromethyl)phenyl]butan-2-yl]hydrazine has a molecular weight of 306.33 g/mol, XLogP of 2.13, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyethoxy)-1-[4-(trifluoromethyl)phenyl]butan-2-yl]hydrazine is sourced from PubChem (CID 102929755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).