[4-propan-2-yl-5-(trifluoromethyl)thiomorpholin-3-yl]methanol

C9H16F3NOS — CID 176871809

IUPAC[4-propan-2-yl-5-(trifluoromethyl)thiomorpholin-3-yl]methanol
SMILESCC(C)N1C(CO)CSCC1C(F)(F)F
InChIInChI=1S/C9H16F3NOS/c1-6(2)13-7(3-14)4-15-5-8(13)9(10,11)12/h6-8,14H,3-5H2,1-2H3
InChIKeyLZFYJQPLIFKAKC-UHFFFAOYSA-N
MW243.29 g/mol
LogP1.74
Rot. Bonds2

About [4-propan-2-yl-5-(trifluoromethyl)thiomorpholin-3-yl]methanol

[4-propan-2-yl-5-(trifluoromethyl)thiomorpholin-3-yl]methanol (PubChem CID 176871809) has the molecular formula C9H16F3NOS and a molecular weight of 243.29 g/mol. Its IUPAC name is [4-propan-2-yl-5-(trifluoromethyl)thiomorpholin-3-yl]methanol.

Molecular Properties

Compound Name[4-propan-2-yl-5-(trifluoromethyl)thiomorpholin-3-yl]methanol
PubChem CID176871809
Molecular FormulaC9H16F3NOS
Molecular Weight243.29 g/mol
Exact Mass243.09
IUPAC Name[4-propan-2-yl-5-(trifluoromethyl)thiomorpholin-3-yl]methanol
SMILESCC(C)N1C(CO)CSCC1C(F)(F)F
InChIInChI=1S/C9H16F3NOS/c1-6(2)13-7(3-14)4-15-5-8(13)9(10,11)12/h6-8,14H,3-5H2,1-2H3
InChIKeyLZFYJQPLIFKAKC-UHFFFAOYSA-N
XLogP1.74
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-propan-2-yl-5-(trifluoromethyl)thiomorpholin-3-yl]methanol?
The IUPAC name of [4-propan-2-yl-5-(trifluoromethyl)thiomorpholin-3-yl]methanol (CID 176871809) is [4-propan-2-yl-5-(trifluoromethyl)thiomorpholin-3-yl]methanol.
What is the SMILES notation for [4-propan-2-yl-5-(trifluoromethyl)thiomorpholin-3-yl]methanol?
The canonical SMILES for [4-propan-2-yl-5-(trifluoromethyl)thiomorpholin-3-yl]methanol is CC(C)N1C(CO)CSCC1C(F)(F)F.
What is the InChIKey of [4-propan-2-yl-5-(trifluoromethyl)thiomorpholin-3-yl]methanol?
The InChIKey is LZFYJQPLIFKAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NOS/c1-6(2)13-7(3-14)4-15-5-8(13)9(10,11)12/h6-8,14H,3-5H2,1-2H3.
What are the key properties of [4-propan-2-yl-5-(trifluoromethyl)thiomorpholin-3-yl]methanol?
[4-propan-2-yl-5-(trifluoromethyl)thiomorpholin-3-yl]methanol has a molecular weight of 243.29 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-propan-2-yl-5-(trifluoromethyl)thiomorpholin-3-yl]methanol is sourced from PubChem (CID 176871809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).