[1-(4-fluorophenyl)sulfanyl-4-(oxolan-2-yl)butan-2-yl]hydrazine

C14H21FN2OS — CID 105236653

IUPAC[1-(4-fluorophenyl)sulfanyl-4-(oxolan-2-yl)butan-2-yl]hydrazine
SMILESNNC(CCC1CCCO1)CSc1ccc(F)cc1
InChIInChI=1S/C14H21FN2OS/c15-11-3-7-14(8-4-11)19-10-12(17-16)5-6-13-2-1-9-18-13/h3-4,7-8,12-13,17H,1-2,5-6,9-10,16H2
InChIKeyIGMLIUDHVOHMLM-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.71
Rot. Bonds7

About [1-(4-fluorophenyl)sulfanyl-4-(oxolan-2-yl)butan-2-yl]hydrazine

[1-(4-fluorophenyl)sulfanyl-4-(oxolan-2-yl)butan-2-yl]hydrazine (PubChem CID 105236653) has the molecular formula C14H21FN2OS and a molecular weight of 284.40 g/mol. Its IUPAC name is [1-(4-fluorophenyl)sulfanyl-4-(oxolan-2-yl)butan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(4-fluorophenyl)sulfanyl-4-(oxolan-2-yl)butan-2-yl]hydrazine
PubChem CID105236653
Molecular FormulaC14H21FN2OS
Molecular Weight284.40 g/mol
Exact Mass284.14
IUPAC Name[1-(4-fluorophenyl)sulfanyl-4-(oxolan-2-yl)butan-2-yl]hydrazine
SMILESNNC(CCC1CCCO1)CSc1ccc(F)cc1
InChIInChI=1S/C14H21FN2OS/c15-11-3-7-14(8-4-11)19-10-12(17-16)5-6-13-2-1-9-18-13/h3-4,7-8,12-13,17H,1-2,5-6,9-10,16H2
InChIKeyIGMLIUDHVOHMLM-UHFFFAOYSA-N
XLogP2.71
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.71
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

1,4-bis(oxolan-2-yl)butan-2-ylhydrazine
CID 105198575
[1-(2-chlorophenyl)sulfanyl-5-(oxolan-2-yl)pentan-2-yl]hydrazine
CID 105237683
[1-(2,5-difluorophenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105219360
[1-(6-fluoro-1-benzothiophen-2-yl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105314280
[1-(3-bromo-5-fluorophenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105238607
[5,5-dimethyl-1-(oxolan-2-yl)hexan-3-yl]hydrazine
CID 105220277
[1-(2-methylsulfanylphenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105314298
N-ethyl-1-(3-methylphenyl)sulfanyl-4-(oxolan-2-yl)butan-2-amine
CID 66087004
1-[3-(4-fluorophenyl)sulfanylpropyl]-2-methyl-3-[2-(oxolan-2-yl)ethyl]guanidine;hydroiodide
CID 111310823
[1-ethylsulfanyl-5-(oxolan-2-yl)pentan-2-yl]hydrazine
CID 105225409
N-ethyl-1-(4-fluorophenyl)-5-(oxolan-2-yl)pentan-2-amine
CID 65167136
2-(4-fluorophenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 79437798

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)sulfanyl-4-(oxolan-2-yl)butan-2-yl]hydrazine?
The IUPAC name of [1-(4-fluorophenyl)sulfanyl-4-(oxolan-2-yl)butan-2-yl]hydrazine (CID 105236653) is [1-(4-fluorophenyl)sulfanyl-4-(oxolan-2-yl)butan-2-yl]hydrazine.
What is the SMILES notation for [1-(4-fluorophenyl)sulfanyl-4-(oxolan-2-yl)butan-2-yl]hydrazine?
The canonical SMILES for [1-(4-fluorophenyl)sulfanyl-4-(oxolan-2-yl)butan-2-yl]hydrazine is NNC(CCC1CCCO1)CSc1ccc(F)cc1.
What is the InChIKey of [1-(4-fluorophenyl)sulfanyl-4-(oxolan-2-yl)butan-2-yl]hydrazine?
The InChIKey is IGMLIUDHVOHMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2OS/c15-11-3-7-14(8-4-11)19-10-12(17-16)5-6-13-2-1-9-18-13/h3-4,7-8,12-13,17H,1-2,5-6,9-10,16H2.
What are the key properties of [1-(4-fluorophenyl)sulfanyl-4-(oxolan-2-yl)butan-2-yl]hydrazine?
[1-(4-fluorophenyl)sulfanyl-4-(oxolan-2-yl)butan-2-yl]hydrazine has a molecular weight of 284.40 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)sulfanyl-4-(oxolan-2-yl)butan-2-yl]hydrazine is sourced from PubChem (CID 105236653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).