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

C8H14F3N — CID 57206875

IUPAC1-(3,3,3-trifluoropropyl)piperidine
SMILESFC(F)(F)CCN1CCCCC1
InChIInChI=1S/C8H14F3N/c9-8(10,11)4-7-12-5-2-1-3-6-12/h1-7H2
InChIKeyPLZIDMCVJZLNIE-UHFFFAOYSA-N
MW181.20 g/mol
LogP2.42
Rot. Bonds2

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

1-(3,3,3-trifluoropropyl)piperidine (PubChem CID 57206875) has the molecular formula C8H14F3N and a molecular weight of 181.20 g/mol. Its IUPAC name is 1-(3,3,3-trifluoropropyl)piperidine.

Molecular Properties

Compound Name1-(3,3,3-trifluoropropyl)piperidine
PubChem CID57206875
Molecular FormulaC8H14F3N
Molecular Weight181.20 g/mol
Exact Mass181.11
IUPAC Name1-(3,3,3-trifluoropropyl)piperidine
SMILESFC(F)(F)CCN1CCCCC1
InChIInChI=1S/C8H14F3N/c9-8(10,11)4-7-12-5-2-1-3-6-12/h1-7H2
InChIKeyPLZIDMCVJZLNIE-UHFFFAOYSA-N
XLogP2.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3,3-trifluoropropyl)piperidine?
The IUPAC name of 1-(3,3,3-trifluoropropyl)piperidine (CID 57206875) is 1-(3,3,3-trifluoropropyl)piperidine.
What is the SMILES notation for 1-(3,3,3-trifluoropropyl)piperidine?
The canonical SMILES for 1-(3,3,3-trifluoropropyl)piperidine is FC(F)(F)CCN1CCCCC1.
What is the InChIKey of 1-(3,3,3-trifluoropropyl)piperidine?
The InChIKey is PLZIDMCVJZLNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N/c9-8(10,11)4-7-12-5-2-1-3-6-12/h1-7H2.
What are the key properties of 1-(3,3,3-trifluoropropyl)piperidine?
1-(3,3,3-trifluoropropyl)piperidine has a molecular weight of 181.20 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,3-trifluoropropyl)piperidine is sourced from PubChem (CID 57206875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).