[1-(thiolan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]hydrazine

C13H17F3N2S — CID 105255478

IUPAC[1-(thiolan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]hydrazine
SMILESNNC(Cc1ccc(C(F)(F)F)cc1)C1CCCS1
InChIInChI=1S/C13H17F3N2S/c14-13(15,16)10-5-3-9(4-6-10)8-11(18-17)12-2-1-7-19-12/h3-6,11-12,18H,1-2,7-8,17H2
InChIKeyVXJRYVUUYGSDEC-UHFFFAOYSA-N
MW290.35 g/mol
LogP2.98
Rot. Bonds4

About [1-(thiolan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]hydrazine

[1-(thiolan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]hydrazine (PubChem CID 105255478) has the molecular formula C13H17F3N2S and a molecular weight of 290.35 g/mol. Its IUPAC name is [1-(thiolan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]hydrazine.

Molecular Properties

Compound Name[1-(thiolan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]hydrazine
PubChem CID105255478
Molecular FormulaC13H17F3N2S
Molecular Weight290.35 g/mol
Exact Mass290.11
IUPAC Name[1-(thiolan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]hydrazine
SMILESNNC(Cc1ccc(C(F)(F)F)cc1)C1CCCS1
InChIInChI=1S/C13H17F3N2S/c14-13(15,16)10-5-3-9(4-6-10)8-11(18-17)12-2-1-7-19-12/h3-6,11-12,18H,1-2,7-8,17H2
InChIKeyVXJRYVUUYGSDEC-UHFFFAOYSA-N
XLogP2.98
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 52.98
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

N-ethyl-1-(thiolan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 80622626
[1-(7-bicyclo[4.1.0]heptanyl)-2-[4-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105299705
[2-(4-propan-2-ylphenyl)-1-(thian-2-yl)ethyl]hydrazine
CID 105255638
2-(4-tert-butylphenyl)-N-methyl-1-(thiolan-2-yl)ethanamine
CID 80622254
[1-(3-bicyclo[3.1.0]hexanyl)-2-[4-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105299679
thiolan-2-yl-[4-(trifluoromethyl)phenyl]methanamine
CID 80622365
N-[thiolan-2-yl-[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 80626863
[2-(4-bromo-2-chlorophenyl)-1-(thiolan-2-yl)ethyl]hydrazine
CID 105255480
N-[2-(4-ethylphenyl)-1-(thiolan-2-yl)ethyl]propan-1-amine
CID 80627216
1-cyclobutyl-N-ethyl-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 55040821
[2-(2-bromo-3-fluorophenyl)-1-(thian-2-yl)ethyl]hydrazine
CID 105255720
[2-(4-chlorophenyl)-1-(1,4-dithian-2-yl)ethyl]hydrazine
CID 105249447

Frequently Asked Questions

What is the IUPAC name of [1-(thiolan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]hydrazine?
The IUPAC name of [1-(thiolan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]hydrazine (CID 105255478) is [1-(thiolan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]hydrazine.
What is the SMILES notation for [1-(thiolan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]hydrazine?
The canonical SMILES for [1-(thiolan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]hydrazine is NNC(Cc1ccc(C(F)(F)F)cc1)C1CCCS1.
What is the InChIKey of [1-(thiolan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]hydrazine?
The InChIKey is VXJRYVUUYGSDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2S/c14-13(15,16)10-5-3-9(4-6-10)8-11(18-17)12-2-1-7-19-12/h3-6,11-12,18H,1-2,7-8,17H2.
What are the key properties of [1-(thiolan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]hydrazine?
[1-(thiolan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]hydrazine has a molecular weight of 290.35 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(thiolan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]hydrazine is sourced from PubChem (CID 105255478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).