1-(4-fluorophenyl)sulfanyl-3-(propan-2-ylamino)propan-2-ol

C12H18FNOS — CID 43166356

IUPAC1-(4-fluorophenyl)sulfanyl-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(O)CSc1ccc(F)cc1
InChIInChI=1S/C12H18FNOS/c1-9(2)14-7-11(15)8-16-12-5-3-10(13)4-6-12/h3-6,9,11,14-15H,7-8H2,1-2H3
InChIKeyOVIDRMBFERRDEW-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.28
Rot. Bonds6

About 1-(4-fluorophenyl)sulfanyl-3-(propan-2-ylamino)propan-2-ol

1-(4-fluorophenyl)sulfanyl-3-(propan-2-ylamino)propan-2-ol (PubChem CID 43166356) has the molecular formula C12H18FNOS and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfanyl-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfanyl-3-(propan-2-ylamino)propan-2-ol
PubChem CID43166356
Molecular FormulaC12H18FNOS
Molecular Weight243.35 g/mol
Exact Mass243.11
IUPAC Name1-(4-fluorophenyl)sulfanyl-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(O)CSc1ccc(F)cc1
InChIInChI=1S/C12H18FNOS/c1-9(2)14-7-11(15)8-16-12-5-3-10(13)4-6-12/h3-6,9,11,14-15H,7-8H2,1-2H3
InChIKeyOVIDRMBFERRDEW-UHFFFAOYSA-N
XLogP2.28
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfanyl-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 1-(4-fluorophenyl)sulfanyl-3-(propan-2-ylamino)propan-2-ol (CID 43166356) is 1-(4-fluorophenyl)sulfanyl-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-(4-fluorophenyl)sulfanyl-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-(4-fluorophenyl)sulfanyl-3-(propan-2-ylamino)propan-2-ol is CC(C)NCC(O)CSc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)sulfanyl-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is OVIDRMBFERRDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNOS/c1-9(2)14-7-11(15)8-16-12-5-3-10(13)4-6-12/h3-6,9,11,14-15H,7-8H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)sulfanyl-3-(propan-2-ylamino)propan-2-ol?
1-(4-fluorophenyl)sulfanyl-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 243.35 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfanyl-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 43166356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).