1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methylpiperidine

C9H13F6N — CID 58787223

IUPAC1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methylpiperidine
SMILESCC1CCN(C(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C9H13F6N/c1-6-2-4-16(5-3-6)7(8(10,11)12)9(13,14)15/h6-7H,2-5H2,1H3
InChIKeyHDTXUGIGXVANAT-UHFFFAOYSA-N
MW249.20 g/mol
LogP3.21
Rot. Bonds1

About 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methylpiperidine

1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methylpiperidine (PubChem CID 58787223) has the molecular formula C9H13F6N and a molecular weight of 249.20 g/mol. Its IUPAC name is 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methylpiperidine.

Molecular Properties

Compound Name1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methylpiperidine
PubChem CID58787223
Molecular FormulaC9H13F6N
Molecular Weight249.20 g/mol
Exact Mass249.10
IUPAC Name1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methylpiperidine
SMILESCC1CCN(C(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C9H13F6N/c1-6-2-4-16(5-3-6)7(8(10,11)12)9(13,14)15/h6-7H,2-5H2,1H3
InChIKeyHDTXUGIGXVANAT-UHFFFAOYSA-N
XLogP3.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.20
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methylpiperidine?
The IUPAC name of 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methylpiperidine (CID 58787223) is 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methylpiperidine.
What is the SMILES notation for 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methylpiperidine?
The canonical SMILES for 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methylpiperidine is CC1CCN(C(C(F)(F)F)C(F)(F)F)CC1.
What is the InChIKey of 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methylpiperidine?
The InChIKey is HDTXUGIGXVANAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F6N/c1-6-2-4-16(5-3-6)7(8(10,11)12)9(13,14)15/h6-7H,2-5H2,1H3.
What are the key properties of 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methylpiperidine?
1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methylpiperidine has a molecular weight of 249.20 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methylpiperidine is sourced from PubChem (CID 58787223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).