[4-ethyl-1-(3-fluorophenyl)sulfanylhexan-2-yl]hydrazine

C14H23FN2S — CID 105236538

IUPAC[4-ethyl-1-(3-fluorophenyl)sulfanylhexan-2-yl]hydrazine
SMILESCCC(CC)CC(CSc1cccc(F)c1)NN
InChIInChI=1S/C14H23FN2S/c1-3-11(4-2)8-13(17-16)10-18-14-7-5-6-12(15)9-14/h5-7,9,11,13,17H,3-4,8,10,16H2,1-2H3
InChIKeyRBHWWTHOBAJNNS-UHFFFAOYSA-N
MW270.42 g/mol
LogP3.58
Rot. Bonds8

About [4-ethyl-1-(3-fluorophenyl)sulfanylhexan-2-yl]hydrazine

[4-ethyl-1-(3-fluorophenyl)sulfanylhexan-2-yl]hydrazine (PubChem CID 105236538) has the molecular formula C14H23FN2S and a molecular weight of 270.42 g/mol. Its IUPAC name is [4-ethyl-1-(3-fluorophenyl)sulfanylhexan-2-yl]hydrazine.

Molecular Properties

Compound Name[4-ethyl-1-(3-fluorophenyl)sulfanylhexan-2-yl]hydrazine
PubChem CID105236538
Molecular FormulaC14H23FN2S
Molecular Weight270.42 g/mol
Exact Mass270.16
IUPAC Name[4-ethyl-1-(3-fluorophenyl)sulfanylhexan-2-yl]hydrazine
SMILESCCC(CC)CC(CSc1cccc(F)c1)NN
InChIInChI=1S/C14H23FN2S/c1-3-11(4-2)8-13(17-16)10-18-14-7-5-6-12(15)9-14/h5-7,9,11,13,17H,3-4,8,10,16H2,1-2H3
InChIKeyRBHWWTHOBAJNNS-UHFFFAOYSA-N
XLogP3.58
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 53.58
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

4-ethyl-1-(3-fluorophenyl)sulfanyl-N-methylhexan-2-amine
CID 82923342
N,4-diethyl-1-(3-fluorophenyl)sulfanylhexan-2-amine
CID 82923437
[1-(3-bromophenyl)sulfanyl-4-ethylhexan-2-yl]hydrazine
CID 105238478
1-(3-fluorophenyl)sulfanylnonan-2-ylhydrazine
CID 105236394
[1-(3-bromophenyl)sulfanyl-4-ethyloctan-2-yl]hydrazine
CID 105238335
[1-(3-fluorophenyl)sulfanyl-3-(oxan-4-yl)propan-2-yl]hydrazine
CID 105236374
1-(3-chlorophenyl)sulfanylbutan-2-ylhydrazine
CID 105237904
(2R)-1-(3-fluorophenyl)sulfanylpropan-2-amine
CID 104889284
[2-(3-fluorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethyl]hydrazine
CID 105236551
1-(3-fluorophenyl)sulfanyl-N-methylhexan-2-amine
CID 66070424
1-(3-fluorophenyl)sulfanyl-N-propylpentan-2-amine
CID 66071041
[1-(2-bromophenyl)sulfanyl-4-ethylhexan-2-yl]hydrazine
CID 105238238

Frequently Asked Questions

What is the IUPAC name of [4-ethyl-1-(3-fluorophenyl)sulfanylhexan-2-yl]hydrazine?
The IUPAC name of [4-ethyl-1-(3-fluorophenyl)sulfanylhexan-2-yl]hydrazine (CID 105236538) is [4-ethyl-1-(3-fluorophenyl)sulfanylhexan-2-yl]hydrazine.
What is the SMILES notation for [4-ethyl-1-(3-fluorophenyl)sulfanylhexan-2-yl]hydrazine?
The canonical SMILES for [4-ethyl-1-(3-fluorophenyl)sulfanylhexan-2-yl]hydrazine is CCC(CC)CC(CSc1cccc(F)c1)NN.
What is the InChIKey of [4-ethyl-1-(3-fluorophenyl)sulfanylhexan-2-yl]hydrazine?
The InChIKey is RBHWWTHOBAJNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2S/c1-3-11(4-2)8-13(17-16)10-18-14-7-5-6-12(15)9-14/h5-7,9,11,13,17H,3-4,8,10,16H2,1-2H3.
What are the key properties of [4-ethyl-1-(3-fluorophenyl)sulfanylhexan-2-yl]hydrazine?
[4-ethyl-1-(3-fluorophenyl)sulfanylhexan-2-yl]hydrazine has a molecular weight of 270.42 g/mol, XLogP of 3.58, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-1-(3-fluorophenyl)sulfanylhexan-2-yl]hydrazine is sourced from PubChem (CID 105236538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).