(4S)-3,3-difluoro-4-phenylmethoxythiolane

C11H12F2OS — CID 44606330

IUPAC(4S)-3,3-difluoro-4-phenylmethoxythiolane
SMILESFC1(F)CSC[C@H]1OCc1ccccc1
InChIInChI=1S/C11H12F2OS/c12-11(13)8-15-7-10(11)14-6-9-4-2-1-3-5-9/h1-5,10H,6-8H2/t10-/m1/s1
InChIKeyOFATVRUIUMAHDB-SNVBAGLBSA-N
MW230.28 g/mol
LogP2.95
Rot. Bonds3

About (4S)-3,3-difluoro-4-phenylmethoxythiolane

(4S)-3,3-difluoro-4-phenylmethoxythiolane (PubChem CID 44606330) has the molecular formula C11H12F2OS and a molecular weight of 230.28 g/mol. Its IUPAC name is (4S)-3,3-difluoro-4-phenylmethoxythiolane.

Molecular Properties

Compound Name(4S)-3,3-difluoro-4-phenylmethoxythiolane
PubChem CID44606330
Molecular FormulaC11H12F2OS
Molecular Weight230.28 g/mol
Exact Mass230.06
IUPAC Name(4S)-3,3-difluoro-4-phenylmethoxythiolane
SMILESFC1(F)CSC[C@H]1OCc1ccccc1
InChIInChI=1S/C11H12F2OS/c12-11(13)8-15-7-10(11)14-6-9-4-2-1-3-5-9/h1-5,10H,6-8H2/t10-/m1/s1
InChIKeyOFATVRUIUMAHDB-SNVBAGLBSA-N
XLogP2.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.28
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-3,3-difluoro-4-phenylmethoxythiolane?
The IUPAC name of (4S)-3,3-difluoro-4-phenylmethoxythiolane (CID 44606330) is (4S)-3,3-difluoro-4-phenylmethoxythiolane.
What is the SMILES notation for (4S)-3,3-difluoro-4-phenylmethoxythiolane?
The canonical SMILES for (4S)-3,3-difluoro-4-phenylmethoxythiolane is FC1(F)CSC[C@H]1OCc1ccccc1.
What is the InChIKey of (4S)-3,3-difluoro-4-phenylmethoxythiolane?
The InChIKey is OFATVRUIUMAHDB-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H12F2OS/c12-11(13)8-15-7-10(11)14-6-9-4-2-1-3-5-9/h1-5,10H,6-8H2/t10-/m1/s1.
What are the key properties of (4S)-3,3-difluoro-4-phenylmethoxythiolane?
(4S)-3,3-difluoro-4-phenylmethoxythiolane has a molecular weight of 230.28 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3,3-difluoro-4-phenylmethoxythiolane is sourced from PubChem (CID 44606330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).