1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-(4-methylpiperazin-1-yl)propan-2-ol

C11H18F6N2O2 — CID 4829656

IUPAC1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-(4-methylpiperazin-1-yl)propan-2-ol
SMILESCN1CCN(CC(O)COC(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C11H18F6N2O2/c1-18-2-4-19(5-3-18)6-8(20)7-21-9(10(12,13)14)11(15,16)17/h8-9,20H,2-7H2,1H3
InChIKeyFYRLPVJMQKCSTL-UHFFFAOYSA-N
MW324.27 g/mol
LogP1.10
Rot. Bonds5

About 1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-(4-methylpiperazin-1-yl)propan-2-ol

1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-(4-methylpiperazin-1-yl)propan-2-ol (PubChem CID 4829656) has the molecular formula C11H18F6N2O2 and a molecular weight of 324.27 g/mol. Its IUPAC name is 1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-(4-methylpiperazin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-(4-methylpiperazin-1-yl)propan-2-ol
PubChem CID4829656
Molecular FormulaC11H18F6N2O2
Molecular Weight324.27 g/mol
Exact Mass324.13
IUPAC Name1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-(4-methylpiperazin-1-yl)propan-2-ol
SMILESCN1CCN(CC(O)COC(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C11H18F6N2O2/c1-18-2-4-19(5-3-18)6-8(20)7-21-9(10(12,13)14)11(15,16)17/h8-9,20H,2-7H2,1H3
InChIKeyFYRLPVJMQKCSTL-UHFFFAOYSA-N
XLogP1.10
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.27
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-(4-methylpiperazin-1-yl)propan-2-ol?
The IUPAC name of 1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-(4-methylpiperazin-1-yl)propan-2-ol (CID 4829656) is 1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-(4-methylpiperazin-1-yl)propan-2-ol.
What is the SMILES notation for 1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-(4-methylpiperazin-1-yl)propan-2-ol?
The canonical SMILES for 1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-(4-methylpiperazin-1-yl)propan-2-ol is CN1CCN(CC(O)COC(C(F)(F)F)C(F)(F)F)CC1.
What is the InChIKey of 1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-(4-methylpiperazin-1-yl)propan-2-ol?
The InChIKey is FYRLPVJMQKCSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F6N2O2/c1-18-2-4-19(5-3-18)6-8(20)7-21-9(10(12,13)14)11(15,16)17/h8-9,20H,2-7H2,1H3.
What are the key properties of 1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-(4-methylpiperazin-1-yl)propan-2-ol?
1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-(4-methylpiperazin-1-yl)propan-2-ol has a molecular weight of 324.27 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-(4-methylpiperazin-1-yl)propan-2-ol is sourced from PubChem (CID 4829656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).