(3R)-3-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine

C11H20F3N — CID 58573528

IUPAC(3R)-3-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine
SMILESCC(C)(C)[C@H]1CCCN(CC(F)(F)F)C1
InChIInChI=1S/C11H20F3N/c1-10(2,3)9-5-4-6-15(7-9)8-11(12,13)14/h9H,4-8H2,1-3H3/t9-/m0/s1
InChIKeyBBFXGFMRLYVFJU-VIFPVBQESA-N
MW223.28 g/mol
LogP3.31
Rot. Bonds1

About (3R)-3-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine

(3R)-3-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine (PubChem CID 58573528) has the molecular formula C11H20F3N and a molecular weight of 223.28 g/mol. Its IUPAC name is (3R)-3-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine.

Molecular Properties

Compound Name(3R)-3-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine
PubChem CID58573528
Molecular FormulaC11H20F3N
Molecular Weight223.28 g/mol
Exact Mass223.15
IUPAC Name(3R)-3-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine
SMILESCC(C)(C)[C@H]1CCCN(CC(F)(F)F)C1
InChIInChI=1S/C11H20F3N/c1-10(2,3)9-5-4-6-15(7-9)8-11(12,13)14/h9H,4-8H2,1-3H3/t9-/m0/s1
InChIKeyBBFXGFMRLYVFJU-VIFPVBQESA-N
XLogP3.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-tert-butylpiperidin-1-yl)-2-methylpropan-2-amine;hydrochloride
CID 120858200
3-tert-butyl-1-ethylpiperidine;ethane
CID 155704046
4-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine
CID 59416758
3-tert-butyl-1-prop-2-enylpiperidine
CID 127001155
3-(3-tert-butylpiperidin-1-yl)propanenitrile
CID 58395073
3-tert-butyl-1-(8,8-dimethylnonyl)piperidine
CID 152833336
(3S)-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine
CID 122495210
2-[3-(1,1-difluoroethyl)piperidin-1-yl]ethanol
CID 121202515
[1-(2,2-difluoropropyl)piperidin-3-yl]methanamine
CID 84664103
2-[(3S)-3-(1,1-difluoroethyl)piperidin-1-yl]ethanamine
CID 129499448
3-(2-chloroethyl)-1-(2,2,2-trifluoroethyl)piperidine
CID 63388757
(3S)-3-tert-butyl-1-methylpiperidine
CID 129190972

Frequently Asked Questions

What is the IUPAC name of (3R)-3-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine?
The IUPAC name of (3R)-3-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine (CID 58573528) is (3R)-3-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine.
What is the SMILES notation for (3R)-3-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine?
The canonical SMILES for (3R)-3-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine is CC(C)(C)[C@H]1CCCN(CC(F)(F)F)C1.
What is the InChIKey of (3R)-3-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine?
The InChIKey is BBFXGFMRLYVFJU-VIFPVBQESA-N. The full InChI is InChI=1S/C11H20F3N/c1-10(2,3)9-5-4-6-15(7-9)8-11(12,13)14/h9H,4-8H2,1-3H3/t9-/m0/s1.
What are the key properties of (3R)-3-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine?
(3R)-3-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine has a molecular weight of 223.28 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine is sourced from PubChem (CID 58573528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).