(3-fluoro-5-thiomorpholin-4-ylphenyl)methanol

C11H14FNOS — CID 106529680

IUPAC(3-fluoro-5-thiomorpholin-4-ylphenyl)methanol
SMILESOCc1cc(F)cc(N2CCSCC2)c1
InChIInChI=1S/C11H14FNOS/c12-10-5-9(8-14)6-11(7-10)13-1-3-15-4-2-13/h5-7,14H,1-4,8H2
InChIKeyUDWDPNFGTXPDAJ-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.87
Rot. Bonds2

About (3-fluoro-5-thiomorpholin-4-ylphenyl)methanol

(3-fluoro-5-thiomorpholin-4-ylphenyl)methanol (PubChem CID 106529680) has the molecular formula C11H14FNOS and a molecular weight of 227.30 g/mol. Its IUPAC name is (3-fluoro-5-thiomorpholin-4-ylphenyl)methanol.

Molecular Properties

Compound Name(3-fluoro-5-thiomorpholin-4-ylphenyl)methanol
PubChem CID106529680
Molecular FormulaC11H14FNOS
Molecular Weight227.30 g/mol
Exact Mass227.08
IUPAC Name(3-fluoro-5-thiomorpholin-4-ylphenyl)methanol
SMILESOCc1cc(F)cc(N2CCSCC2)c1
InChIInChI=1S/C11H14FNOS/c12-10-5-9(8-14)6-11(7-10)13-1-3-15-4-2-13/h5-7,14H,1-4,8H2
InChIKeyUDWDPNFGTXPDAJ-UHFFFAOYSA-N
XLogP1.87
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-fluoro-5-thiomorpholin-4-ylphenyl)methanol?
The IUPAC name of (3-fluoro-5-thiomorpholin-4-ylphenyl)methanol (CID 106529680) is (3-fluoro-5-thiomorpholin-4-ylphenyl)methanol.
What is the SMILES notation for (3-fluoro-5-thiomorpholin-4-ylphenyl)methanol?
The canonical SMILES for (3-fluoro-5-thiomorpholin-4-ylphenyl)methanol is OCc1cc(F)cc(N2CCSCC2)c1.
What is the InChIKey of (3-fluoro-5-thiomorpholin-4-ylphenyl)methanol?
The InChIKey is UDWDPNFGTXPDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNOS/c12-10-5-9(8-14)6-11(7-10)13-1-3-15-4-2-13/h5-7,14H,1-4,8H2.
What are the key properties of (3-fluoro-5-thiomorpholin-4-ylphenyl)methanol?
(3-fluoro-5-thiomorpholin-4-ylphenyl)methanol has a molecular weight of 227.30 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-5-thiomorpholin-4-ylphenyl)methanol is sourced from PubChem (CID 106529680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).