[1-cyclopentylsulfanyl-3-[3-(trifluoromethyl)phenyl]propan-2-yl]hydrazine

C15H21F3N2S — CID 105227477

IUPAC[1-cyclopentylsulfanyl-3-[3-(trifluoromethyl)phenyl]propan-2-yl]hydrazine
SMILESNNC(CSC1CCCC1)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H21F3N2S/c16-15(17,18)12-5-3-4-11(8-12)9-13(20-19)10-21-14-6-1-2-7-14/h3-5,8,13-14,20H,1-2,6-7,9-10,19H2
InChIKeyRRQNODSSISLJFM-UHFFFAOYSA-N
MW318.41 g/mol
LogP3.76
Rot. Bonds6

About [1-cyclopentylsulfanyl-3-[3-(trifluoromethyl)phenyl]propan-2-yl]hydrazine

[1-cyclopentylsulfanyl-3-[3-(trifluoromethyl)phenyl]propan-2-yl]hydrazine (PubChem CID 105227477) has the molecular formula C15H21F3N2S and a molecular weight of 318.41 g/mol. Its IUPAC name is [1-cyclopentylsulfanyl-3-[3-(trifluoromethyl)phenyl]propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-cyclopentylsulfanyl-3-[3-(trifluoromethyl)phenyl]propan-2-yl]hydrazine
PubChem CID105227477
Molecular FormulaC15H21F3N2S
Molecular Weight318.41 g/mol
Exact Mass318.14
IUPAC Name[1-cyclopentylsulfanyl-3-[3-(trifluoromethyl)phenyl]propan-2-yl]hydrazine
SMILESNNC(CSC1CCCC1)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H21F3N2S/c16-15(17,18)12-5-3-4-11(8-12)9-13(20-19)10-21-14-6-1-2-7-14/h3-5,8,13-14,20H,1-2,6-7,9-10,19H2
InChIKeyRRQNODSSISLJFM-UHFFFAOYSA-N
XLogP3.76
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 53.76
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-(4-chloro-3-fluorophenyl)-3-cyclohexylsulfanylpropan-2-yl]hydrazine
CID 107895084
[1-cyclohexylsulfanyl-3-(3,4-dimethylphenyl)propan-2-yl]hydrazine
CID 105227835
[1-cyclopentylsulfanyl-3-(4-methylphenyl)propan-2-yl]hydrazine
CID 105227574
[1-methoxy-3-[3-(trifluoromethyl)phenyl]propan-2-yl]hydrazine
CID 105207214
[1-cyclohexylsulfanyl-3-(3,5-dimethylphenyl)propan-2-yl]hydrazine
CID 105227768
[1-(furan-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-yl]hydrazine
CID 105235150
[1-cyclohexylsulfanyl-3-(2,6-dichlorophenyl)propan-2-yl]hydrazine
CID 105227721
(1-cyclohexylsulfanyl-3-thiophen-3-ylpropan-2-yl)hydrazine
CID 105227893
(1-cyclopentylsulfanyl-3-naphthalen-1-ylpropan-2-yl)hydrazine
CID 105227571
[4-(2,2-difluoroethoxy)-1-[3-(trifluoromethyl)phenyl]butan-2-yl]hydrazine
CID 103151932
[1-(2-bromo-3-fluorophenyl)-3-cyclopentylsulfanylpropan-2-yl]hydrazine
CID 105227417
2-cyclopentyl-3-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 112569664

Frequently Asked Questions

What is the IUPAC name of [1-cyclopentylsulfanyl-3-[3-(trifluoromethyl)phenyl]propan-2-yl]hydrazine?
The IUPAC name of [1-cyclopentylsulfanyl-3-[3-(trifluoromethyl)phenyl]propan-2-yl]hydrazine (CID 105227477) is [1-cyclopentylsulfanyl-3-[3-(trifluoromethyl)phenyl]propan-2-yl]hydrazine.
What is the SMILES notation for [1-cyclopentylsulfanyl-3-[3-(trifluoromethyl)phenyl]propan-2-yl]hydrazine?
The canonical SMILES for [1-cyclopentylsulfanyl-3-[3-(trifluoromethyl)phenyl]propan-2-yl]hydrazine is NNC(CSC1CCCC1)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of [1-cyclopentylsulfanyl-3-[3-(trifluoromethyl)phenyl]propan-2-yl]hydrazine?
The InChIKey is RRQNODSSISLJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2S/c16-15(17,18)12-5-3-4-11(8-12)9-13(20-19)10-21-14-6-1-2-7-14/h3-5,8,13-14,20H,1-2,6-7,9-10,19H2.
What are the key properties of [1-cyclopentylsulfanyl-3-[3-(trifluoromethyl)phenyl]propan-2-yl]hydrazine?
[1-cyclopentylsulfanyl-3-[3-(trifluoromethyl)phenyl]propan-2-yl]hydrazine has a molecular weight of 318.41 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-cyclopentylsulfanyl-3-[3-(trifluoromethyl)phenyl]propan-2-yl]hydrazine is sourced from PubChem (CID 105227477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).