[3,3,3-trifluoro-1-(4-methoxyphenyl)propyl]hydrazine

C10H13F3N2O — CID 105206009

IUPAC[3,3,3-trifluoro-1-(4-methoxyphenyl)propyl]hydrazine
SMILESCOc1ccc(C(CC(F)(F)F)NN)cc1
InChIInChI=1S/C10H13F3N2O/c1-16-8-4-2-7(3-5-8)9(15-14)6-10(11,12)13/h2-5,9,15H,6,14H2,1H3
InChIKeyQJDQHCDSPYZQKF-UHFFFAOYSA-N
MW234.22 g/mol
LogP2.15
Rot. Bonds4

About [3,3,3-trifluoro-1-(4-methoxyphenyl)propyl]hydrazine

[3,3,3-trifluoro-1-(4-methoxyphenyl)propyl]hydrazine (PubChem CID 105206009) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is [3,3,3-trifluoro-1-(4-methoxyphenyl)propyl]hydrazine.

Molecular Properties

Compound Name[3,3,3-trifluoro-1-(4-methoxyphenyl)propyl]hydrazine
PubChem CID105206009
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name[3,3,3-trifluoro-1-(4-methoxyphenyl)propyl]hydrazine
SMILESCOc1ccc(C(CC(F)(F)F)NN)cc1
InChIInChI=1S/C10H13F3N2O/c1-16-8-4-2-7(3-5-8)9(15-14)6-10(11,12)13/h2-5,9,15H,6,14H2,1H3
InChIKeyQJDQHCDSPYZQKF-UHFFFAOYSA-N
XLogP2.15
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 52.15
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

[1-(4-ethylphenyl)-3,3,3-trifluoropropyl]hydrazine
CID 105206125
[1-(4-methoxyphenyl)-3-methylsulfanylpropyl]hydrazine
CID 105286240
[1-(4-methoxyphenyl)-2-phenylethyl]hydrazine
CID 105190728
[2-(3,5-difluorophenyl)-1-(4-methoxyphenyl)ethyl]hydrazine
CID 105206699
[2-chloro-2,2-difluoro-1-(4-methoxyphenyl)ethyl]hydrazine
CID 105265477
N-ethyl-4,4,4-trifluoro-1-(4-methoxyphenyl)butan-1-amine
CID 64567410
1-(4-methoxyphenyl)heptylhydrazine
CID 105190916
[1-(4-methoxyphenyl)-2-phenoxyethyl]hydrazine
CID 105213017
[1-(4-ethoxyphenyl)-4,4,4-trifluorobutyl]hydrazine
CID 105248935
(1S)-3,3,3-trifluoro-1-(6-methoxynaphthalen-2-yl)propan-1-amine;hydrochloride
CID 171218913
[2-(3-methoxyphenyl)-1-(4-methoxyphenyl)ethyl]hydrazine
CID 105190967
(2R)-4,4,4-trifluoro-2-(4-methoxyphenyl)butanoic acid
CID 125456327

Frequently Asked Questions

What is the IUPAC name of [3,3,3-trifluoro-1-(4-methoxyphenyl)propyl]hydrazine?
The IUPAC name of [3,3,3-trifluoro-1-(4-methoxyphenyl)propyl]hydrazine (CID 105206009) is [3,3,3-trifluoro-1-(4-methoxyphenyl)propyl]hydrazine.
What is the SMILES notation for [3,3,3-trifluoro-1-(4-methoxyphenyl)propyl]hydrazine?
The canonical SMILES for [3,3,3-trifluoro-1-(4-methoxyphenyl)propyl]hydrazine is COc1ccc(C(CC(F)(F)F)NN)cc1.
What is the InChIKey of [3,3,3-trifluoro-1-(4-methoxyphenyl)propyl]hydrazine?
The InChIKey is QJDQHCDSPYZQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c1-16-8-4-2-7(3-5-8)9(15-14)6-10(11,12)13/h2-5,9,15H,6,14H2,1H3.
What are the key properties of [3,3,3-trifluoro-1-(4-methoxyphenyl)propyl]hydrazine?
[3,3,3-trifluoro-1-(4-methoxyphenyl)propyl]hydrazine has a molecular weight of 234.22 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,3,3-trifluoro-1-(4-methoxyphenyl)propyl]hydrazine is sourced from PubChem (CID 105206009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).