3-fluoro-2-methylidene-1-propan-2-ylpiperidine;2-methylidene-1-propan-2-yl-3-(trifluoromethyl)piperidine

C19H32F4N2 — CID 171846775

IUPAC3-fluoro-2-methylidene-1-propan-2-ylpiperidine;2-methylidene-1-propan-2-yl-3-(trifluoromethyl)piperidine
SMILESC=C1C(C(F)(F)F)CCCN1C(C)C.C=C1C(F)CCCN1C(C)C
InChIInChI=1S/C10H16F3N.C9H16FN/c1-7(2)14-6-4-5-9(8(14)3)10(11,12)13;1-7(2)11-6-4-5-9(10)8(11)3/h7,9H,3-6H2,1-2H3;7,9H,3-6H2,1-2H3
InChIKeyNXBLBORPLKDPPG-UHFFFAOYSA-N
MW364.47 g/mol
LogP5.53
Rot. Bonds2

About 3-fluoro-2-methylidene-1-propan-2-ylpiperidine;2-methylidene-1-propan-2-yl-3-(trifluoromethyl)piperidine

3-fluoro-2-methylidene-1-propan-2-ylpiperidine;2-methylidene-1-propan-2-yl-3-(trifluoromethyl)piperidine (PubChem CID 171846775) has the molecular formula C19H32F4N2 and a molecular weight of 364.47 g/mol. Its IUPAC name is 3-fluoro-2-methylidene-1-propan-2-ylpiperidine;2-methylidene-1-propan-2-yl-3-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name3-fluoro-2-methylidene-1-propan-2-ylpiperidine;2-methylidene-1-propan-2-yl-3-(trifluoromethyl)piperidine
PubChem CID171846775
Molecular FormulaC19H32F4N2
Molecular Weight364.47 g/mol
Exact Mass364.25
IUPAC Name3-fluoro-2-methylidene-1-propan-2-ylpiperidine;2-methylidene-1-propan-2-yl-3-(trifluoromethyl)piperidine
SMILESC=C1C(C(F)(F)F)CCCN1C(C)C.C=C1C(F)CCCN1C(C)C
InChIInChI=1S/C10H16F3N.C9H16FN/c1-7(2)14-6-4-5-9(8(14)3)10(11,12)13;1-7(2)11-6-4-5-9(10)8(11)3/h7,9H,3-6H2,1-2H3;7,9H,3-6H2,1-2H3
InChIKeyNXBLBORPLKDPPG-UHFFFAOYSA-N
XLogP5.53
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.47
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methylidene-1-propan-2-ylpiperidine;2-methylidene-1-propan-2-yl-3-(trifluoromethyl)piperidine?
The IUPAC name of 3-fluoro-2-methylidene-1-propan-2-ylpiperidine;2-methylidene-1-propan-2-yl-3-(trifluoromethyl)piperidine (CID 171846775) is 3-fluoro-2-methylidene-1-propan-2-ylpiperidine;2-methylidene-1-propan-2-yl-3-(trifluoromethyl)piperidine.
What is the SMILES notation for 3-fluoro-2-methylidene-1-propan-2-ylpiperidine;2-methylidene-1-propan-2-yl-3-(trifluoromethyl)piperidine?
The canonical SMILES for 3-fluoro-2-methylidene-1-propan-2-ylpiperidine;2-methylidene-1-propan-2-yl-3-(trifluoromethyl)piperidine is C=C1C(C(F)(F)F)CCCN1C(C)C.C=C1C(F)CCCN1C(C)C.
What is the InChIKey of 3-fluoro-2-methylidene-1-propan-2-ylpiperidine;2-methylidene-1-propan-2-yl-3-(trifluoromethyl)piperidine?
The InChIKey is NXBLBORPLKDPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N.C9H16FN/c1-7(2)14-6-4-5-9(8(14)3)10(11,12)13;1-7(2)11-6-4-5-9(10)8(11)3/h7,9H,3-6H2,1-2H3;7,9H,3-6H2,1-2H3.
What are the key properties of 3-fluoro-2-methylidene-1-propan-2-ylpiperidine;2-methylidene-1-propan-2-yl-3-(trifluoromethyl)piperidine?
3-fluoro-2-methylidene-1-propan-2-ylpiperidine;2-methylidene-1-propan-2-yl-3-(trifluoromethyl)piperidine has a molecular weight of 364.47 g/mol, XLogP of 5.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methylidene-1-propan-2-ylpiperidine;2-methylidene-1-propan-2-yl-3-(trifluoromethyl)piperidine is sourced from PubChem (CID 171846775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).