[1-(3-bromophenyl)sulfanyl-6,6,6-trifluorohexan-2-yl]hydrazine

C12H16BrF3N2S — CID 105238354

IUPAC[1-(3-bromophenyl)sulfanyl-6,6,6-trifluorohexan-2-yl]hydrazine
SMILESNNC(CCCC(F)(F)F)CSc1cccc(Br)c1
InChIInChI=1S/C12H16BrF3N2S/c13-9-3-1-5-11(7-9)19-8-10(18-17)4-2-6-12(14,15)16/h1,3,5,7,10,18H,2,4,6,8,17H2
InChIKeyNGBHULSDATXXIW-UHFFFAOYSA-N
MW357.24 g/mol
LogP4.11
Rot. Bonds7

About [1-(3-bromophenyl)sulfanyl-6,6,6-trifluorohexan-2-yl]hydrazine

[1-(3-bromophenyl)sulfanyl-6,6,6-trifluorohexan-2-yl]hydrazine (PubChem CID 105238354) has the molecular formula C12H16BrF3N2S and a molecular weight of 357.24 g/mol. Its IUPAC name is [1-(3-bromophenyl)sulfanyl-6,6,6-trifluorohexan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3-bromophenyl)sulfanyl-6,6,6-trifluorohexan-2-yl]hydrazine
PubChem CID105238354
Molecular FormulaC12H16BrF3N2S
Molecular Weight357.24 g/mol
Exact Mass356.02
IUPAC Name[1-(3-bromophenyl)sulfanyl-6,6,6-trifluorohexan-2-yl]hydrazine
SMILESNNC(CCCC(F)(F)F)CSc1cccc(Br)c1
InChIInChI=1S/C12H16BrF3N2S/c13-9-3-1-5-11(7-9)19-8-10(18-17)4-2-6-12(14,15)16/h1,3,5,7,10,18H,2,4,6,8,17H2
InChIKeyNGBHULSDATXXIW-UHFFFAOYSA-N
XLogP4.11
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.24
LogP ≤ 54.11
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-(3-bromophenyl)sulfanylhexan-2-ylhydrazine
CID 105238265
6,6,6-trifluoro-1-(3-fluorophenyl)sulfanyl-N-methylhexan-2-amine
CID 115517085
[1-(3-bromophenyl)sulfanyl-4-thiophen-2-ylbutan-2-yl]hydrazine
CID 105238327
[1-(3-bromophenyl)sulfanyl-4-ethylhexan-2-yl]hydrazine
CID 105238478
[1-(3-bromophenyl)sulfanyl-4-ethyloctan-2-yl]hydrazine
CID 105238335
[1-(3-bromophenyl)sulfanyl-3-(4-iodophenyl)propan-2-yl]hydrazine
CID 105238369
[1-(3-bromophenyl)sulfanyl-3-(2,5-difluorophenyl)propan-2-yl]hydrazine
CID 105238323
[1-(3-bromophenyl)sulfanyl-3-(2-chlorophenyl)propan-2-yl]hydrazine
CID 105238390
1-(3-chlorophenyl)sulfanyl-6,6,6-trifluoro-N-propylhexan-2-amine
CID 115517124
[2-(3-bromophenyl)sulfanyl-1-phenylethyl]hydrazine
CID 105238272
1-(3-fluorophenyl)sulfanylnonan-2-ylhydrazine
CID 105236394
1-(3-bromophenyl)sulfanyl-N-ethyldecan-2-amine
CID 66158840

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromophenyl)sulfanyl-6,6,6-trifluorohexan-2-yl]hydrazine?
The IUPAC name of [1-(3-bromophenyl)sulfanyl-6,6,6-trifluorohexan-2-yl]hydrazine (CID 105238354) is [1-(3-bromophenyl)sulfanyl-6,6,6-trifluorohexan-2-yl]hydrazine.
What is the SMILES notation for [1-(3-bromophenyl)sulfanyl-6,6,6-trifluorohexan-2-yl]hydrazine?
The canonical SMILES for [1-(3-bromophenyl)sulfanyl-6,6,6-trifluorohexan-2-yl]hydrazine is NNC(CCCC(F)(F)F)CSc1cccc(Br)c1.
What is the InChIKey of [1-(3-bromophenyl)sulfanyl-6,6,6-trifluorohexan-2-yl]hydrazine?
The InChIKey is NGBHULSDATXXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrF3N2S/c13-9-3-1-5-11(7-9)19-8-10(18-17)4-2-6-12(14,15)16/h1,3,5,7,10,18H,2,4,6,8,17H2.
What are the key properties of [1-(3-bromophenyl)sulfanyl-6,6,6-trifluorohexan-2-yl]hydrazine?
[1-(3-bromophenyl)sulfanyl-6,6,6-trifluorohexan-2-yl]hydrazine has a molecular weight of 357.24 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromophenyl)sulfanyl-6,6,6-trifluorohexan-2-yl]hydrazine is sourced from PubChem (CID 105238354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).