4-(2,5-difluorophenyl)sulfanyl-2-methyl-2-(propylamino)pentan-1-ol

C15H23F2NOS — CID 64807866

IUPAC4-(2,5-difluorophenyl)sulfanyl-2-methyl-2-(propylamino)pentan-1-ol
SMILESCCCNC(C)(CO)CC(C)Sc1cc(F)ccc1F
InChIInChI=1S/C15H23F2NOS/c1-4-7-18-15(3,10-19)9-11(2)20-14-8-12(16)5-6-13(14)17/h5-6,8,11,18-19H,4,7,9-10H2,1-3H3
InChIKeyWNUKGOCRWIAQEC-UHFFFAOYSA-N
MW303.42 g/mol
LogP3.59
Rot. Bonds8

About 4-(2,5-difluorophenyl)sulfanyl-2-methyl-2-(propylamino)pentan-1-ol

4-(2,5-difluorophenyl)sulfanyl-2-methyl-2-(propylamino)pentan-1-ol (PubChem CID 64807866) has the molecular formula C15H23F2NOS and a molecular weight of 303.42 g/mol. Its IUPAC name is 4-(2,5-difluorophenyl)sulfanyl-2-methyl-2-(propylamino)pentan-1-ol.

Molecular Properties

Compound Name4-(2,5-difluorophenyl)sulfanyl-2-methyl-2-(propylamino)pentan-1-ol
PubChem CID64807866
Molecular FormulaC15H23F2NOS
Molecular Weight303.42 g/mol
Exact Mass303.15
IUPAC Name4-(2,5-difluorophenyl)sulfanyl-2-methyl-2-(propylamino)pentan-1-ol
SMILESCCCNC(C)(CO)CC(C)Sc1cc(F)ccc1F
InChIInChI=1S/C15H23F2NOS/c1-4-7-18-15(3,10-19)9-11(2)20-14-8-12(16)5-6-13(14)17/h5-6,8,11,18-19H,4,7,9-10H2,1-3H3
InChIKeyWNUKGOCRWIAQEC-UHFFFAOYSA-N
XLogP3.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.42
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-difluorophenyl)sulfanyl-2-methyl-2-(propylamino)pentan-1-ol?
The IUPAC name of 4-(2,5-difluorophenyl)sulfanyl-2-methyl-2-(propylamino)pentan-1-ol (CID 64807866) is 4-(2,5-difluorophenyl)sulfanyl-2-methyl-2-(propylamino)pentan-1-ol.
What is the SMILES notation for 4-(2,5-difluorophenyl)sulfanyl-2-methyl-2-(propylamino)pentan-1-ol?
The canonical SMILES for 4-(2,5-difluorophenyl)sulfanyl-2-methyl-2-(propylamino)pentan-1-ol is CCCNC(C)(CO)CC(C)Sc1cc(F)ccc1F.
What is the InChIKey of 4-(2,5-difluorophenyl)sulfanyl-2-methyl-2-(propylamino)pentan-1-ol?
The InChIKey is WNUKGOCRWIAQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2NOS/c1-4-7-18-15(3,10-19)9-11(2)20-14-8-12(16)5-6-13(14)17/h5-6,8,11,18-19H,4,7,9-10H2,1-3H3.
What are the key properties of 4-(2,5-difluorophenyl)sulfanyl-2-methyl-2-(propylamino)pentan-1-ol?
4-(2,5-difluorophenyl)sulfanyl-2-methyl-2-(propylamino)pentan-1-ol has a molecular weight of 303.42 g/mol, XLogP of 3.59, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-difluorophenyl)sulfanyl-2-methyl-2-(propylamino)pentan-1-ol is sourced from PubChem (CID 64807866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).