2-ethyl-1-(3,3,3-trifluoropropyl)piperidine

C10H18F3N — CID 57150653

IUPAC2-ethyl-1-(3,3,3-trifluoropropyl)piperidine
SMILESCCC1CCCCN1CCC(F)(F)F
InChIInChI=1S/C10H18F3N/c1-2-9-5-3-4-7-14(9)8-6-10(11,12)13/h9H,2-8H2,1H3
InChIKeyMDRTVYPEVMKFFF-UHFFFAOYSA-N
MW209.25 g/mol
LogP3.20
Rot. Bonds3

About 2-ethyl-1-(3,3,3-trifluoropropyl)piperidine

2-ethyl-1-(3,3,3-trifluoropropyl)piperidine (PubChem CID 57150653) has the molecular formula C10H18F3N and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-ethyl-1-(3,3,3-trifluoropropyl)piperidine.

Molecular Properties

Compound Name2-ethyl-1-(3,3,3-trifluoropropyl)piperidine
PubChem CID57150653
Molecular FormulaC10H18F3N
Molecular Weight209.25 g/mol
Exact Mass209.14
IUPAC Name2-ethyl-1-(3,3,3-trifluoropropyl)piperidine
SMILESCCC1CCCCN1CCC(F)(F)F
InChIInChI=1S/C10H18F3N/c1-2-9-5-3-4-7-14(9)8-6-10(11,12)13/h9H,2-8H2,1H3
InChIKeyMDRTVYPEVMKFFF-UHFFFAOYSA-N
XLogP3.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(3,3,3-trifluoropropyl)piperidine?
The IUPAC name of 2-ethyl-1-(3,3,3-trifluoropropyl)piperidine (CID 57150653) is 2-ethyl-1-(3,3,3-trifluoropropyl)piperidine.
What is the SMILES notation for 2-ethyl-1-(3,3,3-trifluoropropyl)piperidine?
The canonical SMILES for 2-ethyl-1-(3,3,3-trifluoropropyl)piperidine is CCC1CCCCN1CCC(F)(F)F.
What is the InChIKey of 2-ethyl-1-(3,3,3-trifluoropropyl)piperidine?
The InChIKey is MDRTVYPEVMKFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N/c1-2-9-5-3-4-7-14(9)8-6-10(11,12)13/h9H,2-8H2,1H3.
What are the key properties of 2-ethyl-1-(3,3,3-trifluoropropyl)piperidine?
2-ethyl-1-(3,3,3-trifluoropropyl)piperidine has a molecular weight of 209.25 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(3,3,3-trifluoropropyl)piperidine is sourced from PubChem (CID 57150653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).