1,1,1-trifluoro-5-methyl-5-morpholin-4-ylheptan-4-ol

C12H22F3NO2 — CID 79065246

IUPAC1,1,1-trifluoro-5-methyl-5-morpholin-4-ylheptan-4-ol
SMILESCCC(C)(C(O)CCC(F)(F)F)N1CCOCC1
InChIInChI=1S/C12H22F3NO2/c1-3-11(2,16-6-8-18-9-7-16)10(17)4-5-12(13,14)15/h10,17H,3-9H2,1-2H3
InChIKeyWDLJWFMWZSKYQU-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.19
Rot. Bonds5

About 1,1,1-trifluoro-5-methyl-5-morpholin-4-ylheptan-4-ol

1,1,1-trifluoro-5-methyl-5-morpholin-4-ylheptan-4-ol (PubChem CID 79065246) has the molecular formula C12H22F3NO2 and a molecular weight of 269.31 g/mol. Its IUPAC name is 1,1,1-trifluoro-5-methyl-5-morpholin-4-ylheptan-4-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-5-methyl-5-morpholin-4-ylheptan-4-ol
PubChem CID79065246
Molecular FormulaC12H22F3NO2
Molecular Weight269.31 g/mol
Exact Mass269.16
IUPAC Name1,1,1-trifluoro-5-methyl-5-morpholin-4-ylheptan-4-ol
SMILESCCC(C)(C(O)CCC(F)(F)F)N1CCOCC1
InChIInChI=1S/C12H22F3NO2/c1-3-11(2,16-6-8-18-9-7-16)10(17)4-5-12(13,14)15/h10,17H,3-9H2,1-2H3
InChIKeyWDLJWFMWZSKYQU-UHFFFAOYSA-N
XLogP2.19
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-5-methyl-5-morpholin-4-ylheptan-4-ol?
The IUPAC name of 1,1,1-trifluoro-5-methyl-5-morpholin-4-ylheptan-4-ol (CID 79065246) is 1,1,1-trifluoro-5-methyl-5-morpholin-4-ylheptan-4-ol.
What is the SMILES notation for 1,1,1-trifluoro-5-methyl-5-morpholin-4-ylheptan-4-ol?
The canonical SMILES for 1,1,1-trifluoro-5-methyl-5-morpholin-4-ylheptan-4-ol is CCC(C)(C(O)CCC(F)(F)F)N1CCOCC1.
What is the InChIKey of 1,1,1-trifluoro-5-methyl-5-morpholin-4-ylheptan-4-ol?
The InChIKey is WDLJWFMWZSKYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO2/c1-3-11(2,16-6-8-18-9-7-16)10(17)4-5-12(13,14)15/h10,17H,3-9H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-5-methyl-5-morpholin-4-ylheptan-4-ol?
1,1,1-trifluoro-5-methyl-5-morpholin-4-ylheptan-4-ol has a molecular weight of 269.31 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-5-methyl-5-morpholin-4-ylheptan-4-ol is sourced from PubChem (CID 79065246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).