1-(2,2-difluoroethyl)-4-propan-2-ylpiperidine;1-(2,2-difluoropropyl)-4-propan-2-ylpiperidine;4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine

C31H58F7N3 — CID 159676408

IUPAC1-(2,2-difluoroethyl)-4-propan-2-ylpiperidine;1-(2,2-difluoropropyl)-4-propan-2-ylpiperidine;4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine
SMILESCC(C)C1CCN(CC(C)(F)F)CC1.CC(C)C1CCN(CC(F)(F)F)CC1.CC(C)C1CCN(CC(F)F)CC1
InChIInChI=1S/C11H21F2N.C10H18F3N.C10H19F2N/c1-9(2)10-4-6-14(7-5-10)8-11(3,12)13;1-8(2)9-3-5-14(6-4-9)7-10(11,12)13;1-8(2)9-3-5-13(6-4-9)7-10(11)12/h9-10H,4-8H2,1-3H3;8-9H,3-7H2,1-2H3;8-10H,3-7H2,1-2H3
InChIKeyMUQNUKYLIFYJJY-UHFFFAOYSA-N
MW605.81 g/mol
LogP8.55
Rot. Bonds8

About 1-(2,2-difluoroethyl)-4-propan-2-ylpiperidine;1-(2,2-difluoropropyl)-4-propan-2-ylpiperidine;4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine

1-(2,2-difluoroethyl)-4-propan-2-ylpiperidine;1-(2,2-difluoropropyl)-4-propan-2-ylpiperidine;4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine (PubChem CID 159676408) has the molecular formula C31H58F7N3 and a molecular weight of 605.81 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-4-propan-2-ylpiperidine;1-(2,2-difluoropropyl)-4-propan-2-ylpiperidine;4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-4-propan-2-ylpiperidine;1-(2,2-difluoropropyl)-4-propan-2-ylpiperidine;4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine
PubChem CID159676408
Molecular FormulaC31H58F7N3
Molecular Weight605.81 g/mol
Exact Mass605.45
IUPAC Name1-(2,2-difluoroethyl)-4-propan-2-ylpiperidine;1-(2,2-difluoropropyl)-4-propan-2-ylpiperidine;4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine
SMILESCC(C)C1CCN(CC(C)(F)F)CC1.CC(C)C1CCN(CC(F)(F)F)CC1.CC(C)C1CCN(CC(F)F)CC1
InChIInChI=1S/C11H21F2N.C10H18F3N.C10H19F2N/c1-9(2)10-4-6-14(7-5-10)8-11(3,12)13;1-8(2)9-3-5-14(6-4-9)7-10(11,12)13;1-8(2)9-3-5-13(6-4-9)7-10(11)12/h9-10H,4-8H2,1-3H3;8-9H,3-7H2,1-2H3;8-10H,3-7H2,1-2H3
InChIKeyMUQNUKYLIFYJJY-UHFFFAOYSA-N
XLogP8.55
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.81
LogP ≤ 58.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-4-propan-2-ylpiperidine;1-(2,2-difluoropropyl)-4-propan-2-ylpiperidine;4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine?
The IUPAC name of 1-(2,2-difluoroethyl)-4-propan-2-ylpiperidine;1-(2,2-difluoropropyl)-4-propan-2-ylpiperidine;4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine (CID 159676408) is 1-(2,2-difluoroethyl)-4-propan-2-ylpiperidine;1-(2,2-difluoropropyl)-4-propan-2-ylpiperidine;4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-4-propan-2-ylpiperidine;1-(2,2-difluoropropyl)-4-propan-2-ylpiperidine;4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine?
The canonical SMILES for 1-(2,2-difluoroethyl)-4-propan-2-ylpiperidine;1-(2,2-difluoropropyl)-4-propan-2-ylpiperidine;4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine is CC(C)C1CCN(CC(C)(F)F)CC1.CC(C)C1CCN(CC(F)(F)F)CC1.CC(C)C1CCN(CC(F)F)CC1.
What is the InChIKey of 1-(2,2-difluoroethyl)-4-propan-2-ylpiperidine;1-(2,2-difluoropropyl)-4-propan-2-ylpiperidine;4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine?
The InChIKey is MUQNUKYLIFYJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2N.C10H18F3N.C10H19F2N/c1-9(2)10-4-6-14(7-5-10)8-11(3,12)13;1-8(2)9-3-5-14(6-4-9)7-10(11,12)13;1-8(2)9-3-5-13(6-4-9)7-10(11)12/h9-10H,4-8H2,1-3H3;8-9H,3-7H2,1-2H3;8-10H,3-7H2,1-2H3.
What are the key properties of 1-(2,2-difluoroethyl)-4-propan-2-ylpiperidine;1-(2,2-difluoropropyl)-4-propan-2-ylpiperidine;4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine?
1-(2,2-difluoroethyl)-4-propan-2-ylpiperidine;1-(2,2-difluoropropyl)-4-propan-2-ylpiperidine;4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine has a molecular weight of 605.81 g/mol, XLogP of 8.55, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-4-propan-2-ylpiperidine;1-(2,2-difluoropropyl)-4-propan-2-ylpiperidine;4-propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine is sourced from PubChem (CID 159676408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).