4-fluoro-4-(3,3,3-trifluoropropyl)piperidine

C8H13F4N — CID 112563135

IUPAC4-fluoro-4-(3,3,3-trifluoropropyl)piperidine
SMILESFC(F)(F)CCC1(F)CCNCC1
InChIInChI=1S/C8H13F4N/c9-7(1-2-8(10,11)12)3-5-13-6-4-7/h13H,1-6H2
InChIKeyXHZBWGOPWLHTEU-UHFFFAOYSA-N
MW199.19 g/mol
LogP2.42
Rot. Bonds2

About 4-fluoro-4-(3,3,3-trifluoropropyl)piperidine

4-fluoro-4-(3,3,3-trifluoropropyl)piperidine (PubChem CID 112563135) has the molecular formula C8H13F4N and a molecular weight of 199.19 g/mol. Its IUPAC name is 4-fluoro-4-(3,3,3-trifluoropropyl)piperidine.

Molecular Properties

Compound Name4-fluoro-4-(3,3,3-trifluoropropyl)piperidine
PubChem CID112563135
Molecular FormulaC8H13F4N
Molecular Weight199.19 g/mol
Exact Mass199.10
IUPAC Name4-fluoro-4-(3,3,3-trifluoropropyl)piperidine
SMILESFC(F)(F)CCC1(F)CCNCC1
InChIInChI=1S/C8H13F4N/c9-7(1-2-8(10,11)12)3-5-13-6-4-7/h13H,1-6H2
InChIKeyXHZBWGOPWLHTEU-UHFFFAOYSA-N
XLogP2.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.19
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-(3,3,3-trifluoropropyl)piperidine?
The IUPAC name of 4-fluoro-4-(3,3,3-trifluoropropyl)piperidine (CID 112563135) is 4-fluoro-4-(3,3,3-trifluoropropyl)piperidine.
What is the SMILES notation for 4-fluoro-4-(3,3,3-trifluoropropyl)piperidine?
The canonical SMILES for 4-fluoro-4-(3,3,3-trifluoropropyl)piperidine is FC(F)(F)CCC1(F)CCNCC1.
What is the InChIKey of 4-fluoro-4-(3,3,3-trifluoropropyl)piperidine?
The InChIKey is XHZBWGOPWLHTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F4N/c9-7(1-2-8(10,11)12)3-5-13-6-4-7/h13H,1-6H2.
What are the key properties of 4-fluoro-4-(3,3,3-trifluoropropyl)piperidine?
4-fluoro-4-(3,3,3-trifluoropropyl)piperidine has a molecular weight of 199.19 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-(3,3,3-trifluoropropyl)piperidine is sourced from PubChem (CID 112563135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).