(2S)-2-[[(R)-[(1R)-1-(2,4-difluorophenyl)propyl]sulfinyl]methyl]oxane

C15H20F2O2S — CID 97221001

IUPAC(2S)-2-[[(R)-[(1R)-1-(2,4-difluorophenyl)propyl]sulfinyl]methyl]oxane
SMILESCC[C@H](c1ccc(F)cc1F)[S@](=O)C[C@@H]1CCCCO1
InChIInChI=1S/C15H20F2O2S/c1-2-15(13-7-6-11(16)9-14(13)17)20(18)10-12-5-3-4-8-19-12/h6-7,9,12,15H,2-5,8,10H2,1H3/t12-,15+,20+/m0/s1
InChIKeySABMURBEWQUDKQ-PGICJIBASA-N
MW302.39 g/mol
LogP3.73
Rot. Bonds5

About (2S)-2-[[(R)-[(1R)-1-(2,4-difluorophenyl)propyl]sulfinyl]methyl]oxane

(2S)-2-[[(R)-[(1R)-1-(2,4-difluorophenyl)propyl]sulfinyl]methyl]oxane (PubChem CID 97221001) has the molecular formula C15H20F2O2S and a molecular weight of 302.39 g/mol. Its IUPAC name is (2S)-2-[[(R)-[(1R)-1-(2,4-difluorophenyl)propyl]sulfinyl]methyl]oxane.

Molecular Properties

Compound Name(2S)-2-[[(R)-[(1R)-1-(2,4-difluorophenyl)propyl]sulfinyl]methyl]oxane
PubChem CID97221001
Molecular FormulaC15H20F2O2S
Molecular Weight302.39 g/mol
Exact Mass302.12
IUPAC Name(2S)-2-[[(R)-[(1R)-1-(2,4-difluorophenyl)propyl]sulfinyl]methyl]oxane
SMILESCC[C@H](c1ccc(F)cc1F)[S@](=O)C[C@@H]1CCCCO1
InChIInChI=1S/C15H20F2O2S/c1-2-15(13-7-6-11(16)9-14(13)17)20(18)10-12-5-3-4-8-19-12/h6-7,9,12,15H,2-5,8,10H2,1H3/t12-,15+,20+/m0/s1
InChIKeySABMURBEWQUDKQ-PGICJIBASA-N
XLogP3.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.39
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2S)-2-[[(R)-[(1R)-1-(2,4-difluorophenyl)propyl]sulfinyl]methyl]oxane with MolForge

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Related Compounds

N-[2-[(S)-[(1R)-1-(2,4-difluorophenyl)propyl]sulfinyl]ethyl]cyclopentanecarboxamide
CID 97234847
1-(2,4-difluorophenyl)-2-(oxan-2-ylmethylamino)ethanol
CID 54941852
1-(2,4-difluorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65160611
1-(4-fluoro-2-methylphenyl)-2-(oxolan-2-yl)ethanamine
CID 62791351
(2,4-difluorophenyl)-(oxan-2-yl)methanol
CID 62214447
(1R)-1-[4-fluoro-2-(oxan-2-ylmethoxy)phenyl]ethanol
CID 63365868
3,5-difluoro-4-(oxan-2-ylmethylsulfinyl)aniline
CID 61369622
1-(5-fluoro-2-methylphenyl)-2-(oxolan-2-yl)ethanol
CID 62608272
5-fluoro-2-[1-(oxan-2-ylmethylamino)ethyl]phenol
CID 55146692
2-[3-bromo-3-(2,4-difluoro-5-methylphenyl)propyl]oxane
CID 79731373
1-[1-[(2,4-difluorophenyl)-(oxan-2-yloxy)methyl]cyclopropyl]propan-1-one
CID 67803276
2-(4-fluoro-2-methylphenyl)-2-(oxolan-2-ylmethylamino)acetic acid
CID 55038391

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(R)-[(1R)-1-(2,4-difluorophenyl)propyl]sulfinyl]methyl]oxane?
The IUPAC name of (2S)-2-[[(R)-[(1R)-1-(2,4-difluorophenyl)propyl]sulfinyl]methyl]oxane (CID 97221001) is (2S)-2-[[(R)-[(1R)-1-(2,4-difluorophenyl)propyl]sulfinyl]methyl]oxane.
What is the SMILES notation for (2S)-2-[[(R)-[(1R)-1-(2,4-difluorophenyl)propyl]sulfinyl]methyl]oxane?
The canonical SMILES for (2S)-2-[[(R)-[(1R)-1-(2,4-difluorophenyl)propyl]sulfinyl]methyl]oxane is CC[C@H](c1ccc(F)cc1F)[S@](=O)C[C@@H]1CCCCO1.
What is the InChIKey of (2S)-2-[[(R)-[(1R)-1-(2,4-difluorophenyl)propyl]sulfinyl]methyl]oxane?
The InChIKey is SABMURBEWQUDKQ-PGICJIBASA-N. The full InChI is InChI=1S/C15H20F2O2S/c1-2-15(13-7-6-11(16)9-14(13)17)20(18)10-12-5-3-4-8-19-12/h6-7,9,12,15H,2-5,8,10H2,1H3/t12-,15+,20+/m0/s1.
What are the key properties of (2S)-2-[[(R)-[(1R)-1-(2,4-difluorophenyl)propyl]sulfinyl]methyl]oxane?
(2S)-2-[[(R)-[(1R)-1-(2,4-difluorophenyl)propyl]sulfinyl]methyl]oxane has a molecular weight of 302.39 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(R)-[(1R)-1-(2,4-difluorophenyl)propyl]sulfinyl]methyl]oxane is sourced from PubChem (CID 97221001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).