6-(2-fluorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)hexan-1-ol

C16H26FNOS — CID 64808450

IUPAC6-(2-fluorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)hexan-1-ol
SMILESCC(C)NC(C)(CO)CCCCSc1ccccc1F
InChIInChI=1S/C16H26FNOS/c1-13(2)18-16(3,12-19)10-6-7-11-20-15-9-5-4-8-14(15)17/h4-5,8-9,13,18-19H,6-7,10-12H2,1-3H3
InChIKeyAKAQLFCKUVSNLT-UHFFFAOYSA-N
MW299.45 g/mol
LogP3.84
Rot. Bonds9

About 6-(2-fluorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)hexan-1-ol

6-(2-fluorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)hexan-1-ol (PubChem CID 64808450) has the molecular formula C16H26FNOS and a molecular weight of 299.45 g/mol. Its IUPAC name is 6-(2-fluorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)hexan-1-ol.

Molecular Properties

Compound Name6-(2-fluorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)hexan-1-ol
PubChem CID64808450
Molecular FormulaC16H26FNOS
Molecular Weight299.45 g/mol
Exact Mass299.17
IUPAC Name6-(2-fluorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)hexan-1-ol
SMILESCC(C)NC(C)(CO)CCCCSc1ccccc1F
InChIInChI=1S/C16H26FNOS/c1-13(2)18-16(3,12-19)10-6-7-11-20-15-9-5-4-8-14(15)17/h4-5,8-9,13,18-19H,6-7,10-12H2,1-3H3
InChIKeyAKAQLFCKUVSNLT-UHFFFAOYSA-N
XLogP3.84
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.45
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)hexan-1-ol?
The IUPAC name of 6-(2-fluorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)hexan-1-ol (CID 64808450) is 6-(2-fluorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)hexan-1-ol.
What is the SMILES notation for 6-(2-fluorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)hexan-1-ol?
The canonical SMILES for 6-(2-fluorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)hexan-1-ol is CC(C)NC(C)(CO)CCCCSc1ccccc1F.
What is the InChIKey of 6-(2-fluorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)hexan-1-ol?
The InChIKey is AKAQLFCKUVSNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNOS/c1-13(2)18-16(3,12-19)10-6-7-11-20-15-9-5-4-8-14(15)17/h4-5,8-9,13,18-19H,6-7,10-12H2,1-3H3.
What are the key properties of 6-(2-fluorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)hexan-1-ol?
6-(2-fluorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)hexan-1-ol has a molecular weight of 299.45 g/mol, XLogP of 3.84, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)hexan-1-ol is sourced from PubChem (CID 64808450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).