1,1,1-trifluoro-3-[4-(3,3,3-trifluoro-2-hydroxypropyl)piperazin-1-yl]propan-2-ol

C10H16F6N2O2 — CID 2767987

IUPAC1,1,1-trifluoro-3-[4-(3,3,3-trifluoro-2-hydroxypropyl)piperazin-1-yl]propan-2-ol
SMILESOC(CN1CCN(CC(O)C(F)(F)F)CC1)C(F)(F)F
InChIInChI=1S/C10H16F6N2O2/c11-9(12,13)7(19)5-17-1-2-18(4-3-17)6-8(20)10(14,15)16/h7-8,19-20H,1-6H2
InChIKeyRKHWNUJKWCLCQP-UHFFFAOYSA-N
MW310.24 g/mol
LogP0.45
Rot. Bonds4

About 1,1,1-trifluoro-3-[4-(3,3,3-trifluoro-2-hydroxypropyl)piperazin-1-yl]propan-2-ol

1,1,1-trifluoro-3-[4-(3,3,3-trifluoro-2-hydroxypropyl)piperazin-1-yl]propan-2-ol (PubChem CID 2767987) has the molecular formula C10H16F6N2O2 and a molecular weight of 310.24 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[4-(3,3,3-trifluoro-2-hydroxypropyl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[4-(3,3,3-trifluoro-2-hydroxypropyl)piperazin-1-yl]propan-2-ol
PubChem CID2767987
Molecular FormulaC10H16F6N2O2
Molecular Weight310.24 g/mol
Exact Mass310.11
IUPAC Name1,1,1-trifluoro-3-[4-(3,3,3-trifluoro-2-hydroxypropyl)piperazin-1-yl]propan-2-ol
SMILESOC(CN1CCN(CC(O)C(F)(F)F)CC1)C(F)(F)F
InChIInChI=1S/C10H16F6N2O2/c11-9(12,13)7(19)5-17-1-2-18(4-3-17)6-8(20)10(14,15)16/h7-8,19-20H,1-6H2
InChIKeyRKHWNUJKWCLCQP-UHFFFAOYSA-N
XLogP0.45
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[4-(3,3,3-trifluoro-2-hydroxypropyl)piperazin-1-yl]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[4-(3,3,3-trifluoro-2-hydroxypropyl)piperazin-1-yl]propan-2-ol (CID 2767987) is 1,1,1-trifluoro-3-[4-(3,3,3-trifluoro-2-hydroxypropyl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[4-(3,3,3-trifluoro-2-hydroxypropyl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[4-(3,3,3-trifluoro-2-hydroxypropyl)piperazin-1-yl]propan-2-ol is OC(CN1CCN(CC(O)C(F)(F)F)CC1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-[4-(3,3,3-trifluoro-2-hydroxypropyl)piperazin-1-yl]propan-2-ol?
The InChIKey is RKHWNUJKWCLCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F6N2O2/c11-9(12,13)7(19)5-17-1-2-18(4-3-17)6-8(20)10(14,15)16/h7-8,19-20H,1-6H2.
What are the key properties of 1,1,1-trifluoro-3-[4-(3,3,3-trifluoro-2-hydroxypropyl)piperazin-1-yl]propan-2-ol?
1,1,1-trifluoro-3-[4-(3,3,3-trifluoro-2-hydroxypropyl)piperazin-1-yl]propan-2-ol has a molecular weight of 310.24 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[4-(3,3,3-trifluoro-2-hydroxypropyl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 2767987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).