[[4-fluoro-3-(trifluoromethyl)phenyl]-(thiolan-2-yl)methyl]hydrazine

C12H14F4N2S — CID 107292378

IUPAC[[4-fluoro-3-(trifluoromethyl)phenyl]-(thiolan-2-yl)methyl]hydrazine
SMILESNNC(c1ccc(F)c(C(F)(F)F)c1)C1CCCS1
InChIInChI=1S/C12H14F4N2S/c13-9-4-3-7(6-8(9)12(14,15)16)11(18-17)10-2-1-5-19-10/h3-4,6,10-11,18H,1-2,5,17H2
InChIKeyKWDCNPMLFAZMGO-UHFFFAOYSA-N
MW294.32 g/mol
LogP3.24
Rot. Bonds3

About [[4-fluoro-3-(trifluoromethyl)phenyl]-(thiolan-2-yl)methyl]hydrazine

[[4-fluoro-3-(trifluoromethyl)phenyl]-(thiolan-2-yl)methyl]hydrazine (PubChem CID 107292378) has the molecular formula C12H14F4N2S and a molecular weight of 294.32 g/mol. Its IUPAC name is [[4-fluoro-3-(trifluoromethyl)phenyl]-(thiolan-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[[4-fluoro-3-(trifluoromethyl)phenyl]-(thiolan-2-yl)methyl]hydrazine
PubChem CID107292378
Molecular FormulaC12H14F4N2S
Molecular Weight294.32 g/mol
Exact Mass294.08
IUPAC Name[[4-fluoro-3-(trifluoromethyl)phenyl]-(thiolan-2-yl)methyl]hydrazine
SMILESNNC(c1ccc(F)c(C(F)(F)F)c1)C1CCCS1
InChIInChI=1S/C12H14F4N2S/c13-9-4-3-7(6-8(9)12(14,15)16)11(18-17)10-2-1-5-19-10/h3-4,6,10-11,18H,1-2,5,17H2
InChIKeyKWDCNPMLFAZMGO-UHFFFAOYSA-N
XLogP3.24
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 53.24
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

[cyclohexyl-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105282065
[[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylcyclopropyl)methyl]hydrazine
CID 107292329
[[4-fluoro-3-(trifluoromethyl)phenyl]-(oxan-3-yl)methyl]hydrazine
CID 107139797
[(4-propan-2-ylphenyl)-(thiolan-2-yl)methyl]hydrazine
CID 105255613
[(4-methoxyphenyl)-(thiolan-2-yl)methyl]hydrazine
CID 105255443
[thiolan-2-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 102710391
[(3-fluoro-5-methylphenyl)-(thiolan-2-yl)methyl]hydrazine
CID 105255608
[(4-ethylphenyl)-(thiolan-2-yl)methyl]hydrazine
CID 105255558
[(4-propan-2-ylphenyl)-(thian-2-yl)methyl]hydrazine
CID 105255964
N-[(4-fluoro-3-methylphenyl)-(thiolan-2-yl)methyl]ethanamine
CID 80622510
(S)-cyclopentyl-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 171222169
2-cyclopentyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanamine
CID 115847288

Frequently Asked Questions

What is the IUPAC name of [[4-fluoro-3-(trifluoromethyl)phenyl]-(thiolan-2-yl)methyl]hydrazine?
The IUPAC name of [[4-fluoro-3-(trifluoromethyl)phenyl]-(thiolan-2-yl)methyl]hydrazine (CID 107292378) is [[4-fluoro-3-(trifluoromethyl)phenyl]-(thiolan-2-yl)methyl]hydrazine.
What is the SMILES notation for [[4-fluoro-3-(trifluoromethyl)phenyl]-(thiolan-2-yl)methyl]hydrazine?
The canonical SMILES for [[4-fluoro-3-(trifluoromethyl)phenyl]-(thiolan-2-yl)methyl]hydrazine is NNC(c1ccc(F)c(C(F)(F)F)c1)C1CCCS1.
What is the InChIKey of [[4-fluoro-3-(trifluoromethyl)phenyl]-(thiolan-2-yl)methyl]hydrazine?
The InChIKey is KWDCNPMLFAZMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F4N2S/c13-9-4-3-7(6-8(9)12(14,15)16)11(18-17)10-2-1-5-19-10/h3-4,6,10-11,18H,1-2,5,17H2.
What are the key properties of [[4-fluoro-3-(trifluoromethyl)phenyl]-(thiolan-2-yl)methyl]hydrazine?
[[4-fluoro-3-(trifluoromethyl)phenyl]-(thiolan-2-yl)methyl]hydrazine has a molecular weight of 294.32 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[4-fluoro-3-(trifluoromethyl)phenyl]-(thiolan-2-yl)methyl]hydrazine is sourced from PubChem (CID 107292378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).