piperidin-4-yl 2-(2,2,3,3,3-pentafluoropropoxy)-2,2-diphenylacetate;hydrochloride

C22H23ClF5NO3 — CID 121267164

IUPACpiperidin-4-yl 2-(2,2,3,3,3-pentafluoropropoxy)-2,2-diphenylacetate;hydrochloride
SMILESCl.O=C(OC1CCNCC1)C(OCC(F)(F)C(F)(F)F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22F5NO3.ClH/c23-20(24,22(25,26)27)15-30-21(16-7-3-1-4-8-16,17-9-5-2-6-10-17)19(29)31-18-11-13-28-14-12-18;/h1-10,18,28H,11-15H2;1H
InChIKeyQTACSRRZSOSXDH-UHFFFAOYSA-N
MW479.87 g/mol
LogP4.86
Rot. Bonds7

About piperidin-4-yl 2-(2,2,3,3,3-pentafluoropropoxy)-2,2-diphenylacetate;hydrochloride

piperidin-4-yl 2-(2,2,3,3,3-pentafluoropropoxy)-2,2-diphenylacetate;hydrochloride (PubChem CID 121267164) has the molecular formula C22H23ClF5NO3 and a molecular weight of 479.87 g/mol. Its IUPAC name is piperidin-4-yl 2-(2,2,3,3,3-pentafluoropropoxy)-2,2-diphenylacetate;hydrochloride.

Molecular Properties

Compound Namepiperidin-4-yl 2-(2,2,3,3,3-pentafluoropropoxy)-2,2-diphenylacetate;hydrochloride
PubChem CID121267164
Molecular FormulaC22H23ClF5NO3
Molecular Weight479.87 g/mol
Exact Mass479.13
IUPAC Namepiperidin-4-yl 2-(2,2,3,3,3-pentafluoropropoxy)-2,2-diphenylacetate;hydrochloride
SMILESCl.O=C(OC1CCNCC1)C(OCC(F)(F)C(F)(F)F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22F5NO3.ClH/c23-20(24,22(25,26)27)15-30-21(16-7-3-1-4-8-16,17-9-5-2-6-10-17)19(29)31-18-11-13-28-14-12-18;/h1-10,18,28H,11-15H2;1H
InChIKeyQTACSRRZSOSXDH-UHFFFAOYSA-N
XLogP4.86
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.87
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

CID 4942
CID 4942
CID 441412
CID 441412
CID 28931
CID 28931
CID 42243
CID 42243
CID 524284
CID 524284
CID 28932
CID 28932
CID 10043883
CID 10043883
CID 10547203
CID 10547203
CID 41125
CID 41125
CID 52948225
CID 52948225
CID 450866
CID 450866
CID 2830874
CID 2830874

Frequently Asked Questions

What is the IUPAC name of piperidin-4-yl 2-(2,2,3,3,3-pentafluoropropoxy)-2,2-diphenylacetate;hydrochloride?
The IUPAC name of piperidin-4-yl 2-(2,2,3,3,3-pentafluoropropoxy)-2,2-diphenylacetate;hydrochloride (CID 121267164) is piperidin-4-yl 2-(2,2,3,3,3-pentafluoropropoxy)-2,2-diphenylacetate;hydrochloride.
What is the SMILES notation for piperidin-4-yl 2-(2,2,3,3,3-pentafluoropropoxy)-2,2-diphenylacetate;hydrochloride?
The canonical SMILES for piperidin-4-yl 2-(2,2,3,3,3-pentafluoropropoxy)-2,2-diphenylacetate;hydrochloride is Cl.O=C(OC1CCNCC1)C(OCC(F)(F)C(F)(F)F)(c1ccccc1)c1ccccc1.
What is the InChIKey of piperidin-4-yl 2-(2,2,3,3,3-pentafluoropropoxy)-2,2-diphenylacetate;hydrochloride?
The InChIKey is QTACSRRZSOSXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F5NO3.ClH/c23-20(24,22(25,26)27)15-30-21(16-7-3-1-4-8-16,17-9-5-2-6-10-17)19(29)31-18-11-13-28-14-12-18;/h1-10,18,28H,11-15H2;1H.
What are the key properties of piperidin-4-yl 2-(2,2,3,3,3-pentafluoropropoxy)-2,2-diphenylacetate;hydrochloride?
piperidin-4-yl 2-(2,2,3,3,3-pentafluoropropoxy)-2,2-diphenylacetate;hydrochloride has a molecular weight of 479.87 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-yl 2-(2,2,3,3,3-pentafluoropropoxy)-2,2-diphenylacetate;hydrochloride is sourced from PubChem (CID 121267164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).