1-[1,1,1,3,3-pentafluoro-4-(2,2,4,4,4-pentafluorobutoxy)butan-2-yl]-3,5-bis(trifluoromethyl)piperidine

C15H15F16NO — CID 130418382

IUPAC1-[1,1,1,3,3-pentafluoro-4-(2,2,4,4,4-pentafluorobutoxy)butan-2-yl]-3,5-bis(trifluoromethyl)piperidine
SMILESFC(F)(F)CC(F)(F)COCC(F)(F)C(N1CC(C(F)(F)F)CC(C(F)(F)F)C1)C(F)(F)F
InChIInChI=1S/C15H15F16NO/c16-10(17,4-12(20,21)22)5-33-6-11(18,19)9(15(29,30)31)32-2-7(13(23,24)25)1-8(3-32)14(26,27)28/h7-9H,1-6H2
InChIKeyVNMPACWIXOPWKB-UHFFFAOYSA-N
MW529.26 g/mol
LogP6.22
Rot. Bonds7

About 1-[1,1,1,3,3-pentafluoro-4-(2,2,4,4,4-pentafluorobutoxy)butan-2-yl]-3,5-bis(trifluoromethyl)piperidine

1-[1,1,1,3,3-pentafluoro-4-(2,2,4,4,4-pentafluorobutoxy)butan-2-yl]-3,5-bis(trifluoromethyl)piperidine (PubChem CID 130418382) has the molecular formula C15H15F16NO and a molecular weight of 529.26 g/mol. Its IUPAC name is 1-[1,1,1,3,3-pentafluoro-4-(2,2,4,4,4-pentafluorobutoxy)butan-2-yl]-3,5-bis(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-[1,1,1,3,3-pentafluoro-4-(2,2,4,4,4-pentafluorobutoxy)butan-2-yl]-3,5-bis(trifluoromethyl)piperidine
PubChem CID130418382
Molecular FormulaC15H15F16NO
Molecular Weight529.26 g/mol
Exact Mass529.09
IUPAC Name1-[1,1,1,3,3-pentafluoro-4-(2,2,4,4,4-pentafluorobutoxy)butan-2-yl]-3,5-bis(trifluoromethyl)piperidine
SMILESFC(F)(F)CC(F)(F)COCC(F)(F)C(N1CC(C(F)(F)F)CC(C(F)(F)F)C1)C(F)(F)F
InChIInChI=1S/C15H15F16NO/c16-10(17,4-12(20,21)22)5-33-6-11(18,19)9(15(29,30)31)32-2-7(13(23,24)25)1-8(3-32)14(26,27)28/h7-9H,1-6H2
InChIKeyVNMPACWIXOPWKB-UHFFFAOYSA-N
XLogP6.22
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.26
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1,1,1,3,3-pentafluoro-4-(2,2,4,4,4-pentafluorobutoxy)butan-2-yl]-3,5-bis(trifluoromethyl)piperidine?
The IUPAC name of 1-[1,1,1,3,3-pentafluoro-4-(2,2,4,4,4-pentafluorobutoxy)butan-2-yl]-3,5-bis(trifluoromethyl)piperidine (CID 130418382) is 1-[1,1,1,3,3-pentafluoro-4-(2,2,4,4,4-pentafluorobutoxy)butan-2-yl]-3,5-bis(trifluoromethyl)piperidine.
What is the SMILES notation for 1-[1,1,1,3,3-pentafluoro-4-(2,2,4,4,4-pentafluorobutoxy)butan-2-yl]-3,5-bis(trifluoromethyl)piperidine?
The canonical SMILES for 1-[1,1,1,3,3-pentafluoro-4-(2,2,4,4,4-pentafluorobutoxy)butan-2-yl]-3,5-bis(trifluoromethyl)piperidine is FC(F)(F)CC(F)(F)COCC(F)(F)C(N1CC(C(F)(F)F)CC(C(F)(F)F)C1)C(F)(F)F.
What is the InChIKey of 1-[1,1,1,3,3-pentafluoro-4-(2,2,4,4,4-pentafluorobutoxy)butan-2-yl]-3,5-bis(trifluoromethyl)piperidine?
The InChIKey is VNMPACWIXOPWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F16NO/c16-10(17,4-12(20,21)22)5-33-6-11(18,19)9(15(29,30)31)32-2-7(13(23,24)25)1-8(3-32)14(26,27)28/h7-9H,1-6H2.
What are the key properties of 1-[1,1,1,3,3-pentafluoro-4-(2,2,4,4,4-pentafluorobutoxy)butan-2-yl]-3,5-bis(trifluoromethyl)piperidine?
1-[1,1,1,3,3-pentafluoro-4-(2,2,4,4,4-pentafluorobutoxy)butan-2-yl]-3,5-bis(trifluoromethyl)piperidine has a molecular weight of 529.26 g/mol, XLogP of 6.22, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,1,1,3,3-pentafluoro-4-(2,2,4,4,4-pentafluorobutoxy)butan-2-yl]-3,5-bis(trifluoromethyl)piperidine is sourced from PubChem (CID 130418382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).