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

C11H17F6N — CID 142845958

IUPAC1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-propylpiperidine
SMILESCCCC1CCN(C(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C11H17F6N/c1-2-3-8-4-6-18(7-5-8)9(10(12,13)14)11(15,16)17/h8-9H,2-7H2,1H3
InChIKeyVCYRRLVPTZZPKM-UHFFFAOYSA-N
MW277.25 g/mol
LogP3.99
Rot. Bonds3

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

1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-propylpiperidine (PubChem CID 142845958) has the molecular formula C11H17F6N and a molecular weight of 277.25 g/mol. Its IUPAC name is 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-propylpiperidine.

Molecular Properties

Compound Name1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-propylpiperidine
PubChem CID142845958
Molecular FormulaC11H17F6N
Molecular Weight277.25 g/mol
Exact Mass277.13
IUPAC Name1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-propylpiperidine
SMILESCCCC1CCN(C(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C11H17F6N/c1-2-3-8-4-6-18(7-5-8)9(10(12,13)14)11(15,16)17/h8-9H,2-7H2,1H3
InChIKeyVCYRRLVPTZZPKM-UHFFFAOYSA-N
XLogP3.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 53.99
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-propylpiperidine?
The IUPAC name of 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-propylpiperidine (CID 142845958) is 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-propylpiperidine.
What is the SMILES notation for 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-propylpiperidine?
The canonical SMILES for 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-propylpiperidine is CCCC1CCN(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-propylpiperidine?
The InChIKey is VCYRRLVPTZZPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F6N/c1-2-3-8-4-6-18(7-5-8)9(10(12,13)14)11(15,16)17/h8-9H,2-7H2,1H3.
What are the key properties of 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-propylpiperidine?
1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-propylpiperidine has a molecular weight of 277.25 g/mol, XLogP of 3.99, 3 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-propylpiperidine is sourced from PubChem (CID 142845958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).