[4-(trifluoromethyl)piperidin-1-yl] hydrogen carbonate

C7H10F3NO3 — CID 90898347

IUPAC[4-(trifluoromethyl)piperidin-1-yl] hydrogen carbonate
SMILESO=C(O)ON1CCC(C(F)(F)F)CC1
InChIInChI=1S/C7H10F3NO3/c8-7(9,10)5-1-3-11(4-2-5)14-6(12)13/h5H,1-4H2,(H,12,13)
InChIKeyDPPXBEAIXRRCGS-UHFFFAOYSA-N
MW213.15 g/mol
LogP1.87
Rot. Bonds1

About [4-(trifluoromethyl)piperidin-1-yl] hydrogen carbonate

[4-(trifluoromethyl)piperidin-1-yl] hydrogen carbonate (PubChem CID 90898347) has the molecular formula C7H10F3NO3 and a molecular weight of 213.15 g/mol. Its IUPAC name is [4-(trifluoromethyl)piperidin-1-yl] hydrogen carbonate.

Molecular Properties

Compound Name[4-(trifluoromethyl)piperidin-1-yl] hydrogen carbonate
PubChem CID90898347
Molecular FormulaC7H10F3NO3
Molecular Weight213.15 g/mol
Exact Mass213.06
IUPAC Name[4-(trifluoromethyl)piperidin-1-yl] hydrogen carbonate
SMILESO=C(O)ON1CCC(C(F)(F)F)CC1
InChIInChI=1S/C7H10F3NO3/c8-7(9,10)5-1-3-11(4-2-5)14-6(12)13/h5H,1-4H2,(H,12,13)
InChIKeyDPPXBEAIXRRCGS-UHFFFAOYSA-N
XLogP1.87
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.15
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethyl)piperidin-1-yl] hydrogen carbonate?
The IUPAC name of [4-(trifluoromethyl)piperidin-1-yl] hydrogen carbonate (CID 90898347) is [4-(trifluoromethyl)piperidin-1-yl] hydrogen carbonate.
What is the SMILES notation for [4-(trifluoromethyl)piperidin-1-yl] hydrogen carbonate?
The canonical SMILES for [4-(trifluoromethyl)piperidin-1-yl] hydrogen carbonate is O=C(O)ON1CCC(C(F)(F)F)CC1.
What is the InChIKey of [4-(trifluoromethyl)piperidin-1-yl] hydrogen carbonate?
The InChIKey is DPPXBEAIXRRCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO3/c8-7(9,10)5-1-3-11(4-2-5)14-6(12)13/h5H,1-4H2,(H,12,13).
What are the key properties of [4-(trifluoromethyl)piperidin-1-yl] hydrogen carbonate?
[4-(trifluoromethyl)piperidin-1-yl] hydrogen carbonate has a molecular weight of 213.15 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)piperidin-1-yl] hydrogen carbonate is sourced from PubChem (CID 90898347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).