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

C14H21F3N2O2 — CID 105270915

IUPAC[3-ethoxy-1-[4-(trifluoromethoxy)phenyl]pentan-2-yl]hydrazine
SMILESCCOC(CC)C(Cc1ccc(OC(F)(F)F)cc1)NN
InChIInChI=1S/C14H21F3N2O2/c1-3-13(20-4-2)12(19-18)9-10-5-7-11(8-6-10)21-14(15,16)17/h5-8,12-13,19H,3-4,9,18H2,1-2H3
InChIKeyFQQUQIINBMNORY-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.77
Rot. Bonds8

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

[3-ethoxy-1-[4-(trifluoromethoxy)phenyl]pentan-2-yl]hydrazine (PubChem CID 105270915) has the molecular formula C14H21F3N2O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is [3-ethoxy-1-[4-(trifluoromethoxy)phenyl]pentan-2-yl]hydrazine.

Molecular Properties

Compound Name[3-ethoxy-1-[4-(trifluoromethoxy)phenyl]pentan-2-yl]hydrazine
PubChem CID105270915
Molecular FormulaC14H21F3N2O2
Molecular Weight306.33 g/mol
Exact Mass306.16
IUPAC Name[3-ethoxy-1-[4-(trifluoromethoxy)phenyl]pentan-2-yl]hydrazine
SMILESCCOC(CC)C(Cc1ccc(OC(F)(F)F)cc1)NN
InChIInChI=1S/C14H21F3N2O2/c1-3-13(20-4-2)12(19-18)9-10-5-7-11(8-6-10)21-14(15,16)17/h5-8,12-13,19H,3-4,9,18H2,1-2H3
InChIKeyFQQUQIINBMNORY-UHFFFAOYSA-N
XLogP2.77
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
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'}

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Related Compounds

[3,3-dimethyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-yl]hydrazine
CID 105296950
[1-ethylsulfanyl-3-[4-(trifluoromethoxy)phenyl]propan-2-yl]hydrazine
CID 105225207
[1-(3-chlorophenyl)-3-ethoxypentan-2-yl]hydrazine
CID 105271215
[4-methoxy-4-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-yl]hydrazine
CID 103025250
1-[2-(bromomethyl)butyl]-4-(trifluoromethoxy)benzene
CID 66042252
3-methoxy-N-methyl-1-[4-(trifluoromethoxy)phenyl]butan-2-amine
CID 79616456
[1-(2,5-difluorophenyl)-3-ethoxypentan-2-yl]hydrazine
CID 105270973
3-methyl-N-propyl-4-[4-(trifluoromethoxy)phenyl]butan-2-amine
CID 60995873
1-[4-(trifluoromethoxy)phenyl]pent-4-en-2-ylhydrazine
CID 105269576
[1-(2-chlorophenyl)-3-ethoxypentan-2-yl]hydrazine
CID 105271076
[1-(1-methylcyclopentyl)-2-[4-(trifluoromethoxy)phenyl]ethyl]hydrazine
CID 105296915
5,5,5-trifluoro-N-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-amine
CID 79954567

Frequently Asked Questions

What is the IUPAC name of [3-ethoxy-1-[4-(trifluoromethoxy)phenyl]pentan-2-yl]hydrazine?
The IUPAC name of [3-ethoxy-1-[4-(trifluoromethoxy)phenyl]pentan-2-yl]hydrazine (CID 105270915) is [3-ethoxy-1-[4-(trifluoromethoxy)phenyl]pentan-2-yl]hydrazine.
What is the SMILES notation for [3-ethoxy-1-[4-(trifluoromethoxy)phenyl]pentan-2-yl]hydrazine?
The canonical SMILES for [3-ethoxy-1-[4-(trifluoromethoxy)phenyl]pentan-2-yl]hydrazine is CCOC(CC)C(Cc1ccc(OC(F)(F)F)cc1)NN.
What is the InChIKey of [3-ethoxy-1-[4-(trifluoromethoxy)phenyl]pentan-2-yl]hydrazine?
The InChIKey is FQQUQIINBMNORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O2/c1-3-13(20-4-2)12(19-18)9-10-5-7-11(8-6-10)21-14(15,16)17/h5-8,12-13,19H,3-4,9,18H2,1-2H3.
What are the key properties of [3-ethoxy-1-[4-(trifluoromethoxy)phenyl]pentan-2-yl]hydrazine?
[3-ethoxy-1-[4-(trifluoromethoxy)phenyl]pentan-2-yl]hydrazine has a molecular weight of 306.33 g/mol, XLogP of 2.77, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethoxy-1-[4-(trifluoromethoxy)phenyl]pentan-2-yl]hydrazine is sourced from PubChem (CID 105270915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).