2-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine

C10H18F3N — CID 59556506

IUPAC2-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine
SMILESCC(C)C1CCCCN1CC(F)(F)F
InChIInChI=1S/C10H18F3N/c1-8(2)9-5-3-4-6-14(9)7-10(11,12)13/h8-9H,3-7H2,1-2H3
InChIKeyXQHXXZVJDSOFAV-UHFFFAOYSA-N
MW209.25 g/mol
LogP3.06
Rot. Bonds2

About 2-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine

2-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine (PubChem CID 59556506) has the molecular formula C10H18F3N and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine.

Molecular Properties

Compound Name2-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine
PubChem CID59556506
Molecular FormulaC10H18F3N
Molecular Weight209.25 g/mol
Exact Mass209.14
IUPAC Name2-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine
SMILESCC(C)C1CCCCN1CC(F)(F)F
InChIInChI=1S/C10H18F3N/c1-8(2)9-5-3-4-6-14(9)7-10(11,12)13/h8-9H,3-7H2,1-2H3
InChIKeyXQHXXZVJDSOFAV-UHFFFAOYSA-N
XLogP3.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine?
The IUPAC name of 2-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine (CID 59556506) is 2-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine.
What is the SMILES notation for 2-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine?
The canonical SMILES for 2-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine is CC(C)C1CCCCN1CC(F)(F)F.
What is the InChIKey of 2-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine?
The InChIKey is XQHXXZVJDSOFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N/c1-8(2)9-5-3-4-6-14(9)7-10(11,12)13/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine?
2-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine has a molecular weight of 209.25 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine is sourced from PubChem (CID 59556506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).