2-(4-fluorophenyl)sulfanyl-2-methylpropan-1-ol

C10H13FOS — CID 116852254

IUPAC2-(4-fluorophenyl)sulfanyl-2-methylpropan-1-ol
SMILESCC(C)(CO)Sc1ccc(F)cc1
InChIInChI=1S/C10H13FOS/c1-10(2,7-12)13-9-5-3-8(11)4-6-9/h3-6,12H,7H2,1-2H3
InChIKeyOIFBNESKOPVVDD-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.69
Rot. Bonds3

About 2-(4-fluorophenyl)sulfanyl-2-methylpropan-1-ol

2-(4-fluorophenyl)sulfanyl-2-methylpropan-1-ol (PubChem CID 116852254) has the molecular formula C10H13FOS and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-2-methylpropan-1-ol
PubChem CID116852254
Molecular FormulaC10H13FOS
Molecular Weight200.28 g/mol
Exact Mass200.07
IUPAC Name2-(4-fluorophenyl)sulfanyl-2-methylpropan-1-ol
SMILESCC(C)(CO)Sc1ccc(F)cc1
InChIInChI=1S/C10H13FOS/c1-10(2,7-12)13-9-5-3-8(11)4-6-9/h3-6,12H,7H2,1-2H3
InChIKeyOIFBNESKOPVVDD-UHFFFAOYSA-N
XLogP2.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-2-methylpropan-1-ol?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-2-methylpropan-1-ol (CID 116852254) is 2-(4-fluorophenyl)sulfanyl-2-methylpropan-1-ol.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-2-methylpropan-1-ol?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-2-methylpropan-1-ol is CC(C)(CO)Sc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-2-methylpropan-1-ol?
The InChIKey is OIFBNESKOPVVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FOS/c1-10(2,7-12)13-9-5-3-8(11)4-6-9/h3-6,12H,7H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)sulfanyl-2-methylpropan-1-ol?
2-(4-fluorophenyl)sulfanyl-2-methylpropan-1-ol has a molecular weight of 200.28 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-2-methylpropan-1-ol is sourced from PubChem (CID 116852254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).