7,7,7-trifluoro-1-piperidin-3-ylheptan-3-one

C12H20F3NO — CID 116562328

IUPAC7,7,7-trifluoro-1-piperidin-3-ylheptan-3-one
SMILESO=C(CCCC(F)(F)F)CCC1CCCNC1
InChIInChI=1S/C12H20F3NO/c13-12(14,15)7-1-4-11(17)6-5-10-3-2-8-16-9-10/h10,16H,1-9H2
InChIKeyTYXPCAZICYMBIC-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.07
Rot. Bonds6

About 7,7,7-trifluoro-1-piperidin-3-ylheptan-3-one

7,7,7-trifluoro-1-piperidin-3-ylheptan-3-one (PubChem CID 116562328) has the molecular formula C12H20F3NO and a molecular weight of 251.29 g/mol. Its IUPAC name is 7,7,7-trifluoro-1-piperidin-3-ylheptan-3-one.

Molecular Properties

Compound Name7,7,7-trifluoro-1-piperidin-3-ylheptan-3-one
PubChem CID116562328
Molecular FormulaC12H20F3NO
Molecular Weight251.29 g/mol
Exact Mass251.15
IUPAC Name7,7,7-trifluoro-1-piperidin-3-ylheptan-3-one
SMILESO=C(CCCC(F)(F)F)CCC1CCCNC1
InChIInChI=1S/C12H20F3NO/c13-12(14,15)7-1-4-11(17)6-5-10-3-2-8-16-9-10/h10,16H,1-9H2
InChIKeyTYXPCAZICYMBIC-UHFFFAOYSA-N
XLogP3.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,7,7-trifluoro-1-piperidin-3-ylheptan-3-one?
The IUPAC name of 7,7,7-trifluoro-1-piperidin-3-ylheptan-3-one (CID 116562328) is 7,7,7-trifluoro-1-piperidin-3-ylheptan-3-one.
What is the SMILES notation for 7,7,7-trifluoro-1-piperidin-3-ylheptan-3-one?
The canonical SMILES for 7,7,7-trifluoro-1-piperidin-3-ylheptan-3-one is O=C(CCCC(F)(F)F)CCC1CCCNC1.
What is the InChIKey of 7,7,7-trifluoro-1-piperidin-3-ylheptan-3-one?
The InChIKey is TYXPCAZICYMBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO/c13-12(14,15)7-1-4-11(17)6-5-10-3-2-8-16-9-10/h10,16H,1-9H2.
What are the key properties of 7,7,7-trifluoro-1-piperidin-3-ylheptan-3-one?
7,7,7-trifluoro-1-piperidin-3-ylheptan-3-one has a molecular weight of 251.29 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,7-trifluoro-1-piperidin-3-ylheptan-3-one is sourced from PubChem (CID 116562328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).