(3R,6S)-2,3,4,6-tetrafluoro-1,4-di(propan-2-yl)piperidine

C11H19F4N — CID 174284621

IUPAC(3R,6S)-2,3,4,6-tetrafluoro-1,4-di(propan-2-yl)piperidine
SMILESCC(C)N1C(F)[C@H](F)C(F)(C(C)C)C[C@@H]1F
InChIInChI=1S/C11H19F4N/c1-6(2)11(15)5-8(12)16(7(3)4)10(14)9(11)13/h6-10H,5H2,1-4H3/t8-,9+,10?,11?/m1/s1
InChIKeyXAOVSFZBHMJYRW-MFQSTILNSA-N
MW241.27 g/mol
LogP3.39
Rot. Bonds2

About (3R,6S)-2,3,4,6-tetrafluoro-1,4-di(propan-2-yl)piperidine

(3R,6S)-2,3,4,6-tetrafluoro-1,4-di(propan-2-yl)piperidine (PubChem CID 174284621) has the molecular formula C11H19F4N and a molecular weight of 241.27 g/mol. Its IUPAC name is (3R,6S)-2,3,4,6-tetrafluoro-1,4-di(propan-2-yl)piperidine.

Molecular Properties

Compound Name(3R,6S)-2,3,4,6-tetrafluoro-1,4-di(propan-2-yl)piperidine
PubChem CID174284621
Molecular FormulaC11H19F4N
Molecular Weight241.27 g/mol
Exact Mass241.15
IUPAC Name(3R,6S)-2,3,4,6-tetrafluoro-1,4-di(propan-2-yl)piperidine
SMILESCC(C)N1C(F)[C@H](F)C(F)(C(C)C)C[C@@H]1F
InChIInChI=1S/C11H19F4N/c1-6(2)11(15)5-8(12)16(7(3)4)10(14)9(11)13/h6-10H,5H2,1-4H3/t8-,9+,10?,11?/m1/s1
InChIKeyXAOVSFZBHMJYRW-MFQSTILNSA-N
XLogP3.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

(1R,3S,4S,5S,6S)-4-fluoro-2-propan-2-yl-2-azatricyclo[3.2.1.03,6]octan-5-amine
CID 170046907
(2R,5R)-2,5-dimethyl-1-propan-2-ylpyrrolidine
CID 58977160
2-fluoro-1-propan-2-ylaziridine
CID 166046401
ethane;3-methyl-6-propan-2-yl-6-azabicyclo[3.1.1]heptane
CID 166462217
2-fluoro-7-propan-2-yl-7-azabicyclo[2.2.1]heptane
CID 170676189
(1R,2S,3R,5S)-2-fluoro-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-amine
CID 170050723
ethane;(6-propan-2-yl-6-azabicyclo[3.1.1]heptan-3-yl)phosphane
CID 177325541
2,2,3,3,4,4,5,5-octamethyl-8,10-di(propan-2-yl)-10-azabicyclo[4.3.1]decane
CID 59451216
1,2,2,3,3,5-hexafluoro-4-propan-2-ylpiperazine
CID 150456202
1,1,2,3-tetrafluoro-5-methyl-2-propan-2-ylcyclohexane
CID 87307695
(2R,6R)-2,6-dimethyl-1-propan-2-ylpiperidine
CID 130875650
2,2,5,5-tetrafluoro-1,3,3a,4,6,6a-hexahydropentalene
CID 139551105

Frequently Asked Questions

What is the IUPAC name of (3R,6S)-2,3,4,6-tetrafluoro-1,4-di(propan-2-yl)piperidine?
The IUPAC name of (3R,6S)-2,3,4,6-tetrafluoro-1,4-di(propan-2-yl)piperidine (CID 174284621) is (3R,6S)-2,3,4,6-tetrafluoro-1,4-di(propan-2-yl)piperidine.
What is the SMILES notation for (3R,6S)-2,3,4,6-tetrafluoro-1,4-di(propan-2-yl)piperidine?
The canonical SMILES for (3R,6S)-2,3,4,6-tetrafluoro-1,4-di(propan-2-yl)piperidine is CC(C)N1C(F)[C@H](F)C(F)(C(C)C)C[C@@H]1F.
What is the InChIKey of (3R,6S)-2,3,4,6-tetrafluoro-1,4-di(propan-2-yl)piperidine?
The InChIKey is XAOVSFZBHMJYRW-MFQSTILNSA-N. The full InChI is InChI=1S/C11H19F4N/c1-6(2)11(15)5-8(12)16(7(3)4)10(14)9(11)13/h6-10H,5H2,1-4H3/t8-,9+,10?,11?/m1/s1.
What are the key properties of (3R,6S)-2,3,4,6-tetrafluoro-1,4-di(propan-2-yl)piperidine?
(3R,6S)-2,3,4,6-tetrafluoro-1,4-di(propan-2-yl)piperidine has a molecular weight of 241.27 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S)-2,3,4,6-tetrafluoro-1,4-di(propan-2-yl)piperidine is sourced from PubChem (CID 174284621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).