[(2S,4R,5S)-4-(fluoromethyl)-5-methylthiolan-2-yl]methanol

C7H13FOS — CID 89078257

IUPAC[(2S,4R,5S)-4-(fluoromethyl)-5-methylthiolan-2-yl]methanol
SMILESC[C@@H]1S[C@H](CO)C[C@@H]1CF
InChIInChI=1S/C7H13FOS/c1-5-6(3-8)2-7(4-9)10-5/h5-7,9H,2-4H2,1H3/t5-,6+,7-/m0/s1
InChIKeyNMXXXNQRZVSCHW-XVMARJQXSA-N
MW164.24 g/mol
LogP1.46
Rot. Bonds2

About [(2S,4R,5S)-4-(fluoromethyl)-5-methylthiolan-2-yl]methanol

[(2S,4R,5S)-4-(fluoromethyl)-5-methylthiolan-2-yl]methanol (PubChem CID 89078257) has the molecular formula C7H13FOS and a molecular weight of 164.24 g/mol. Its IUPAC name is [(2S,4R,5S)-4-(fluoromethyl)-5-methylthiolan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4R,5S)-4-(fluoromethyl)-5-methylthiolan-2-yl]methanol
PubChem CID89078257
Molecular FormulaC7H13FOS
Molecular Weight164.24 g/mol
Exact Mass164.07
IUPAC Name[(2S,4R,5S)-4-(fluoromethyl)-5-methylthiolan-2-yl]methanol
SMILESC[C@@H]1S[C@H](CO)C[C@@H]1CF
InChIInChI=1S/C7H13FOS/c1-5-6(3-8)2-7(4-9)10-5/h5-7,9H,2-4H2,1H3/t5-,6+,7-/m0/s1
InChIKeyNMXXXNQRZVSCHW-XVMARJQXSA-N
XLogP1.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.24
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S,4R,5S)-4-(fluoromethyl)-5-methylthiolan-2-yl]methanol?
The IUPAC name of [(2S,4R,5S)-4-(fluoromethyl)-5-methylthiolan-2-yl]methanol (CID 89078257) is [(2S,4R,5S)-4-(fluoromethyl)-5-methylthiolan-2-yl]methanol.
What is the SMILES notation for [(2S,4R,5S)-4-(fluoromethyl)-5-methylthiolan-2-yl]methanol?
The canonical SMILES for [(2S,4R,5S)-4-(fluoromethyl)-5-methylthiolan-2-yl]methanol is C[C@@H]1S[C@H](CO)C[C@@H]1CF.
What is the InChIKey of [(2S,4R,5S)-4-(fluoromethyl)-5-methylthiolan-2-yl]methanol?
The InChIKey is NMXXXNQRZVSCHW-XVMARJQXSA-N. The full InChI is InChI=1S/C7H13FOS/c1-5-6(3-8)2-7(4-9)10-5/h5-7,9H,2-4H2,1H3/t5-,6+,7-/m0/s1.
What are the key properties of [(2S,4R,5S)-4-(fluoromethyl)-5-methylthiolan-2-yl]methanol?
[(2S,4R,5S)-4-(fluoromethyl)-5-methylthiolan-2-yl]methanol has a molecular weight of 164.24 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R,5S)-4-(fluoromethyl)-5-methylthiolan-2-yl]methanol is sourced from PubChem (CID 89078257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).