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FAMRHTHKHOBATR-UHFFFAOYSA-N

C15H19F6N3O — CID 150127327

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1,1,1,3,3,3-hexafluoro-2-(5-piperazin-1-yl-4-propyl-2-pyridinyl)propan-2-ol
SMILESCCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ncc1N1CCNCC1
InChIInChI=1S/C15H19F6N3O/c1-2-3-10-8-12(13(25,14(16,17)18)15(19,20)21)23-9-11(10)24-6-4-22-5-7-24/h8-9,22,25H,2-7H2,1H3
InChIKeyFAMRHTHKHOBATR-UHFFFAOYSA-N
MW371.33 g/mol
LogP2.76
Rot. Bonds4

About FAMRHTHKHOBATR-UHFFFAOYSA-N

FAMRHTHKHOBATR-UHFFFAOYSA-N (PubChem CID 150127327) has the molecular formula C15H19F6N3O and a molecular weight of 371.33 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-(5-piperazin-1-yl-4-propyl-2-pyridinyl)propan-2-ol.

Molecular Properties

Compound NameFAMRHTHKHOBATR-UHFFFAOYSA-N
PubChem CID150127327
Molecular FormulaC15H19F6N3O
Molecular Weight371.33 g/mol
Exact Mass371.14
IUPAC Name1,1,1,3,3,3-hexafluoro-2-(5-piperazin-1-yl-4-propyl-2-pyridinyl)propan-2-ol
SMILESCCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ncc1N1CCNCC1
InChIInChI=1S/C15H19F6N3O/c1-2-3-10-8-12(13(25,14(16,17)18)15(19,20)21)23-9-11(10)24-6-4-22-5-7-24/h8-9,22,25H,2-7H2,1H3
InChIKeyFAMRHTHKHOBATR-UHFFFAOYSA-N
XLogP2.76
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.33
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of FAMRHTHKHOBATR-UHFFFAOYSA-N?
The IUPAC name of FAMRHTHKHOBATR-UHFFFAOYSA-N (CID 150127327) is 1,1,1,3,3,3-hexafluoro-2-(5-piperazin-1-yl-4-propyl-2-pyridinyl)propan-2-ol.
What is the SMILES notation for FAMRHTHKHOBATR-UHFFFAOYSA-N?
The canonical SMILES for FAMRHTHKHOBATR-UHFFFAOYSA-N is CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ncc1N1CCNCC1.
What is the InChIKey of FAMRHTHKHOBATR-UHFFFAOYSA-N?
The InChIKey is FAMRHTHKHOBATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F6N3O/c1-2-3-10-8-12(13(25,14(16,17)18)15(19,20)21)23-9-11(10)24-6-4-22-5-7-24/h8-9,22,25H,2-7H2,1H3.
What are the key properties of FAMRHTHKHOBATR-UHFFFAOYSA-N?
FAMRHTHKHOBATR-UHFFFAOYSA-N has a molecular weight of 371.33 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for FAMRHTHKHOBATR-UHFFFAOYSA-N is sourced from PubChem (CID 150127327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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