[(2R)-4-[[1-(3-chloro-4-fluorophenyl)triazol-4-yl]methyl]morpholin-2-yl]methanol

C14H16ClFN4O2 — CID 99853569

IUPAC[(2R)-4-[[1-(3-chloro-4-fluorophenyl)triazol-4-yl]methyl]morpholin-2-yl]methanol
SMILESOC[C@H]1CN(Cc2cn(-c3ccc(F)c(Cl)c3)nn2)CCO1
InChIInChI=1S/C14H16ClFN4O2/c15-13-5-11(1-2-14(13)16)20-7-10(17-18-20)6-19-3-4-22-12(8-19)9-21/h1-2,5,7,12,21H,3-4,6,8-9H2/t12-/m1/s1
InChIKeyRTMFFCKTHHXBGL-GFCCVEGCSA-N
MW326.76 g/mol
LogP1.25
Rot. Bonds4

About [(2R)-4-[[1-(3-chloro-4-fluorophenyl)triazol-4-yl]methyl]morpholin-2-yl]methanol

[(2R)-4-[[1-(3-chloro-4-fluorophenyl)triazol-4-yl]methyl]morpholin-2-yl]methanol (PubChem CID 99853569) has the molecular formula C14H16ClFN4O2 and a molecular weight of 326.76 g/mol. Its IUPAC name is [(2R)-4-[[1-(3-chloro-4-fluorophenyl)triazol-4-yl]methyl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-4-[[1-(3-chloro-4-fluorophenyl)triazol-4-yl]methyl]morpholin-2-yl]methanol
PubChem CID99853569
Molecular FormulaC14H16ClFN4O2
Molecular Weight326.76 g/mol
Exact Mass326.09
IUPAC Name[(2R)-4-[[1-(3-chloro-4-fluorophenyl)triazol-4-yl]methyl]morpholin-2-yl]methanol
SMILESOC[C@H]1CN(Cc2cn(-c3ccc(F)c(Cl)c3)nn2)CCO1
InChIInChI=1S/C14H16ClFN4O2/c15-13-5-11(1-2-14(13)16)20-7-10(17-18-20)6-19-3-4-22-12(8-19)9-21/h1-2,5,7,12,21H,3-4,6,8-9H2/t12-/m1/s1
InChIKeyRTMFFCKTHHXBGL-GFCCVEGCSA-N
XLogP1.25
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.76
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2R)-4-[[1-(3-chloro-4-fluorophenyl)triazol-4-yl]methyl]morpholin-2-yl]methanol?
The IUPAC name of [(2R)-4-[[1-(3-chloro-4-fluorophenyl)triazol-4-yl]methyl]morpholin-2-yl]methanol (CID 99853569) is [(2R)-4-[[1-(3-chloro-4-fluorophenyl)triazol-4-yl]methyl]morpholin-2-yl]methanol.
What is the SMILES notation for [(2R)-4-[[1-(3-chloro-4-fluorophenyl)triazol-4-yl]methyl]morpholin-2-yl]methanol?
The canonical SMILES for [(2R)-4-[[1-(3-chloro-4-fluorophenyl)triazol-4-yl]methyl]morpholin-2-yl]methanol is OC[C@H]1CN(Cc2cn(-c3ccc(F)c(Cl)c3)nn2)CCO1.
What is the InChIKey of [(2R)-4-[[1-(3-chloro-4-fluorophenyl)triazol-4-yl]methyl]morpholin-2-yl]methanol?
The InChIKey is RTMFFCKTHHXBGL-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H16ClFN4O2/c15-13-5-11(1-2-14(13)16)20-7-10(17-18-20)6-19-3-4-22-12(8-19)9-21/h1-2,5,7,12,21H,3-4,6,8-9H2/t12-/m1/s1.
What are the key properties of [(2R)-4-[[1-(3-chloro-4-fluorophenyl)triazol-4-yl]methyl]morpholin-2-yl]methanol?
[(2R)-4-[[1-(3-chloro-4-fluorophenyl)triazol-4-yl]methyl]morpholin-2-yl]methanol has a molecular weight of 326.76 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4-[[1-(3-chloro-4-fluorophenyl)triazol-4-yl]methyl]morpholin-2-yl]methanol is sourced from PubChem (CID 99853569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).