(4R)-3,3-difluoro-4-(phenylmethoxymethyl)thiolane

C12H14F2OS — CID 25242186

IUPAC(4R)-3,3-difluoro-4-(phenylmethoxymethyl)thiolane
SMILESFC1(F)CSC[C@@H]1COCc1ccccc1
InChIInChI=1S/C12H14F2OS/c13-12(14)9-16-8-11(12)7-15-6-10-4-2-1-3-5-10/h1-5,11H,6-9H2/t11-/m0/s1
InChIKeyJLYMTWBHJPKSBU-NSHDSACASA-N
MW244.31 g/mol
LogP3.20
Rot. Bonds4

About (4R)-3,3-difluoro-4-(phenylmethoxymethyl)thiolane

(4R)-3,3-difluoro-4-(phenylmethoxymethyl)thiolane (PubChem CID 25242186) has the molecular formula C12H14F2OS and a molecular weight of 244.31 g/mol. Its IUPAC name is (4R)-3,3-difluoro-4-(phenylmethoxymethyl)thiolane.

Molecular Properties

Compound Name(4R)-3,3-difluoro-4-(phenylmethoxymethyl)thiolane
PubChem CID25242186
Molecular FormulaC12H14F2OS
Molecular Weight244.31 g/mol
Exact Mass244.07
IUPAC Name(4R)-3,3-difluoro-4-(phenylmethoxymethyl)thiolane
SMILESFC1(F)CSC[C@@H]1COCc1ccccc1
InChIInChI=1S/C12H14F2OS/c13-12(14)9-16-8-11(12)7-15-6-10-4-2-1-3-5-10/h1-5,11H,6-9H2/t11-/m0/s1
InChIKeyJLYMTWBHJPKSBU-NSHDSACASA-N
XLogP3.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-3,3-difluoro-4-(phenylmethoxymethyl)thiolane?
The IUPAC name of (4R)-3,3-difluoro-4-(phenylmethoxymethyl)thiolane (CID 25242186) is (4R)-3,3-difluoro-4-(phenylmethoxymethyl)thiolane.
What is the SMILES notation for (4R)-3,3-difluoro-4-(phenylmethoxymethyl)thiolane?
The canonical SMILES for (4R)-3,3-difluoro-4-(phenylmethoxymethyl)thiolane is FC1(F)CSC[C@@H]1COCc1ccccc1.
What is the InChIKey of (4R)-3,3-difluoro-4-(phenylmethoxymethyl)thiolane?
The InChIKey is JLYMTWBHJPKSBU-NSHDSACASA-N. The full InChI is InChI=1S/C12H14F2OS/c13-12(14)9-16-8-11(12)7-15-6-10-4-2-1-3-5-10/h1-5,11H,6-9H2/t11-/m0/s1.
What are the key properties of (4R)-3,3-difluoro-4-(phenylmethoxymethyl)thiolane?
(4R)-3,3-difluoro-4-(phenylmethoxymethyl)thiolane has a molecular weight of 244.31 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3,3-difluoro-4-(phenylmethoxymethyl)thiolane is sourced from PubChem (CID 25242186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).