[3-thiophen-2-yl-1-(2,3,4-trifluorophenyl)propyl]hydrazine

C13H13F3N2S — CID 105308798

IUPAC[3-thiophen-2-yl-1-(2,3,4-trifluorophenyl)propyl]hydrazine
SMILESNNC(CCc1cccs1)c1ccc(F)c(F)c1F
InChIInChI=1S/C13H13F3N2S/c14-10-5-4-9(12(15)13(10)16)11(18-17)6-3-8-2-1-7-19-8/h1-2,4-5,7,11,18H,3,6,17H2
InChIKeySBJJIQWEUIQEJJ-UHFFFAOYSA-N
MW286.32 g/mol
LogP3.30
Rot. Bonds5

About [3-thiophen-2-yl-1-(2,3,4-trifluorophenyl)propyl]hydrazine

[3-thiophen-2-yl-1-(2,3,4-trifluorophenyl)propyl]hydrazine (PubChem CID 105308798) has the molecular formula C13H13F3N2S and a molecular weight of 286.32 g/mol. Its IUPAC name is [3-thiophen-2-yl-1-(2,3,4-trifluorophenyl)propyl]hydrazine.

Molecular Properties

Compound Name[3-thiophen-2-yl-1-(2,3,4-trifluorophenyl)propyl]hydrazine
PubChem CID105308798
Molecular FormulaC13H13F3N2S
Molecular Weight286.32 g/mol
Exact Mass286.08
IUPAC Name[3-thiophen-2-yl-1-(2,3,4-trifluorophenyl)propyl]hydrazine
SMILESNNC(CCc1cccs1)c1ccc(F)c(F)c1F
InChIInChI=1S/C13H13F3N2S/c14-10-5-4-9(12(15)13(10)16)11(18-17)6-3-8-2-1-7-19-8/h1-2,4-5,7,11,18H,3,6,17H2
InChIKeySBJJIQWEUIQEJJ-UHFFFAOYSA-N
XLogP3.30
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-2-(1-hydrazinyl-3-thiophen-2-ylpropyl)aniline
CID 105263131
N-ethyl-2-thiophen-2-yl-1-(2,3,4-trifluorophenyl)ethanamine
CID 55156959
[1-(3-fluoro-4-methylphenyl)-3-thiophen-2-ylpropyl]hydrazine
CID 105201470
[3-pyridin-2-yl-1-(2,3,4-trifluorophenyl)propyl]hydrazine
CID 105305710
[1-(2,4-dimethoxyphenyl)-3-thiophen-2-ylpropyl]hydrazine
CID 105308893
3-hydrazinyl-N,N-dimethyl-3-(2,3,4-trifluorophenyl)propan-1-amine
CID 105259088
(1-quinolin-4-yl-3-thiophen-2-ylpropyl)hydrazine
CID 105308809
1-(3-bromo-2-fluorophenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 107952963
N,N-diethyl-3-hydrazinyl-3-(2,3,4-trifluorophenyl)propan-1-amine
CID 105243943
1-(2,6-difluoro-3-methylphenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 115860877
[1-(3-iodophenyl)-3-thiophen-2-ylpropyl]hydrazine
CID 105308804
[2-methylsulfanyl-1-(2,3,4-trifluorophenyl)ethyl]hydrazine
CID 105213752

Frequently Asked Questions

What is the IUPAC name of [3-thiophen-2-yl-1-(2,3,4-trifluorophenyl)propyl]hydrazine?
The IUPAC name of [3-thiophen-2-yl-1-(2,3,4-trifluorophenyl)propyl]hydrazine (CID 105308798) is [3-thiophen-2-yl-1-(2,3,4-trifluorophenyl)propyl]hydrazine.
What is the SMILES notation for [3-thiophen-2-yl-1-(2,3,4-trifluorophenyl)propyl]hydrazine?
The canonical SMILES for [3-thiophen-2-yl-1-(2,3,4-trifluorophenyl)propyl]hydrazine is NNC(CCc1cccs1)c1ccc(F)c(F)c1F.
What is the InChIKey of [3-thiophen-2-yl-1-(2,3,4-trifluorophenyl)propyl]hydrazine?
The InChIKey is SBJJIQWEUIQEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2S/c14-10-5-4-9(12(15)13(10)16)11(18-17)6-3-8-2-1-7-19-8/h1-2,4-5,7,11,18H,3,6,17H2.
What are the key properties of [3-thiophen-2-yl-1-(2,3,4-trifluorophenyl)propyl]hydrazine?
[3-thiophen-2-yl-1-(2,3,4-trifluorophenyl)propyl]hydrazine has a molecular weight of 286.32 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-thiophen-2-yl-1-(2,3,4-trifluorophenyl)propyl]hydrazine is sourced from PubChem (CID 105308798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).