[2-cyclopentylsulfanyl-1-[2-(trifluoromethoxy)phenyl]ethyl]hydrazine

C14H19F3N2OS — CID 105227580

IUPAC[2-cyclopentylsulfanyl-1-[2-(trifluoromethoxy)phenyl]ethyl]hydrazine
SMILESNNC(CSC1CCCC1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C14H19F3N2OS/c15-14(16,17)20-13-8-4-3-7-11(13)12(19-18)9-21-10-5-1-2-6-10/h3-4,7-8,10,12,19H,1-2,5-6,9,18H2
InChIKeyCLDQTBWPVGHGNB-UHFFFAOYSA-N
MW320.38 g/mol
LogP3.77
Rot. Bonds6

About [2-cyclopentylsulfanyl-1-[2-(trifluoromethoxy)phenyl]ethyl]hydrazine

[2-cyclopentylsulfanyl-1-[2-(trifluoromethoxy)phenyl]ethyl]hydrazine (PubChem CID 105227580) has the molecular formula C14H19F3N2OS and a molecular weight of 320.38 g/mol. Its IUPAC name is [2-cyclopentylsulfanyl-1-[2-(trifluoromethoxy)phenyl]ethyl]hydrazine.

Molecular Properties

Compound Name[2-cyclopentylsulfanyl-1-[2-(trifluoromethoxy)phenyl]ethyl]hydrazine
PubChem CID105227580
Molecular FormulaC14H19F3N2OS
Molecular Weight320.38 g/mol
Exact Mass320.12
IUPAC Name[2-cyclopentylsulfanyl-1-[2-(trifluoromethoxy)phenyl]ethyl]hydrazine
SMILESNNC(CSC1CCCC1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C14H19F3N2OS/c15-14(16,17)20-13-8-4-3-7-11(13)12(19-18)9-21-10-5-1-2-6-10/h3-4,7-8,10,12,19H,1-2,5-6,9,18H2
InChIKeyCLDQTBWPVGHGNB-UHFFFAOYSA-N
XLogP3.77
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

[2-cyclopentylsulfanyl-1-(2-propan-2-yloxyphenyl)ethyl]hydrazine
CID 105227548
[2-cyclopentylsulfanyl-1-(5-fluoro-2-methoxyphenyl)ethyl]hydrazine
CID 105227559
[2-butan-2-ylsulfanyl-1-[2-(trifluoromethoxy)phenyl]ethyl]hydrazine
CID 105227240
[2-ethoxy-1-[2-(trifluoromethoxy)phenyl]ethyl]hydrazine
CID 105235372
2-cyclopentylsulfanyl-N-ethyl-1-(2-methoxyphenyl)ethanamine
CID 64628412
N-cyclohexyl-1-[2-(trifluoromethoxy)phenyl]ethane-1,2-diamine
CID 65384955
[1-(2-chloro-5-fluorophenyl)-2-cyclohexylsulfanylethyl]hydrazine
CID 105397841
[2-methyl-3-methylsulfanyl-1-[2-(trifluoromethoxy)phenyl]propyl]hydrazine
CID 114222154
[2-cyclohexylsulfanyl-1-(5-fluoro-2-methylphenyl)ethyl]hydrazine
CID 105227725
[1-(1-benzothiophen-7-yl)-2-cyclohexylsulfanylethyl]hydrazine
CID 105227744
2-cyclohexyl-1-[2-(trifluoromethoxy)phenyl]ethanamine
CID 115850794
[2-propan-2-yloxy-1-[2-(trifluoromethoxy)phenyl]ethyl]hydrazine
CID 105301408

Frequently Asked Questions

What is the IUPAC name of [2-cyclopentylsulfanyl-1-[2-(trifluoromethoxy)phenyl]ethyl]hydrazine?
The IUPAC name of [2-cyclopentylsulfanyl-1-[2-(trifluoromethoxy)phenyl]ethyl]hydrazine (CID 105227580) is [2-cyclopentylsulfanyl-1-[2-(trifluoromethoxy)phenyl]ethyl]hydrazine.
What is the SMILES notation for [2-cyclopentylsulfanyl-1-[2-(trifluoromethoxy)phenyl]ethyl]hydrazine?
The canonical SMILES for [2-cyclopentylsulfanyl-1-[2-(trifluoromethoxy)phenyl]ethyl]hydrazine is NNC(CSC1CCCC1)c1ccccc1OC(F)(F)F.
What is the InChIKey of [2-cyclopentylsulfanyl-1-[2-(trifluoromethoxy)phenyl]ethyl]hydrazine?
The InChIKey is CLDQTBWPVGHGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2OS/c15-14(16,17)20-13-8-4-3-7-11(13)12(19-18)9-21-10-5-1-2-6-10/h3-4,7-8,10,12,19H,1-2,5-6,9,18H2.
What are the key properties of [2-cyclopentylsulfanyl-1-[2-(trifluoromethoxy)phenyl]ethyl]hydrazine?
[2-cyclopentylsulfanyl-1-[2-(trifluoromethoxy)phenyl]ethyl]hydrazine has a molecular weight of 320.38 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclopentylsulfanyl-1-[2-(trifluoromethoxy)phenyl]ethyl]hydrazine is sourced from PubChem (CID 105227580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).