1-tert-butyl-2-(trifluoromethyl)piperidine

C10H18F3N — CID 58083437

IUPAC1-tert-butyl-2-(trifluoromethyl)piperidine
SMILESCC(C)(C)N1CCCCC1C(F)(F)F
InChIInChI=1S/C10H18F3N/c1-9(2,3)14-7-5-4-6-8(14)10(11,12)13/h8H,4-7H2,1-3H3
InChIKeyAVDJOEJEXNAOGT-UHFFFAOYSA-N
MW209.25 g/mol
LogP3.20
Rot. Bonds

About 1-tert-butyl-2-(trifluoromethyl)piperidine

1-tert-butyl-2-(trifluoromethyl)piperidine (PubChem CID 58083437) has the molecular formula C10H18F3N and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-tert-butyl-2-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-tert-butyl-2-(trifluoromethyl)piperidine
PubChem CID58083437
Molecular FormulaC10H18F3N
Molecular Weight209.25 g/mol
Exact Mass209.14
IUPAC Name1-tert-butyl-2-(trifluoromethyl)piperidine
SMILESCC(C)(C)N1CCCCC1C(F)(F)F
InChIInChI=1S/C10H18F3N/c1-9(2,3)14-7-5-4-6-8(14)10(11,12)13/h8H,4-7H2,1-3H3
InChIKeyAVDJOEJEXNAOGT-UHFFFAOYSA-N
XLogP3.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Cyclohexyl-2-(trifluoromethyl)piperidine
CID 53666657
1-(1,1,1-Trifluorododecan-2-yl)piperidine
CID 14764806
4-Fluoro-1-propan-2-ylpiperidine
CID 23518717
2-(1,1-Difluoropropyl)-1-methylpiperidine
CID 53845807
2-Ethyl-1-(3,3,3-trifluoropropyl)piperidine
CID 57150653
1-Tert-butyl-3,3-difluoropiperidine
CID 57559176
N-butan-2-yl-N-(2,2,2-trifluoroethyl)hexan-1-amine
CID 57680078
1-Ethyl-4,4-difluoropiperidine;2-methylpropane;tungsten(2+)
CID 57749459
1,2-Ditert-butyl-4,4-difluoropiperidine
CID 57819720
3,3-Difluoro-1-propan-2-ylpiperidine
CID 57891938
1-(2,2-Dimethylpropyl)-4,4-difluoropiperidine
CID 57910809
1-Tert-butyl-3-fluoropiperidine
CID 57938762

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-(trifluoromethyl)piperidine?
The IUPAC name of 1-tert-butyl-2-(trifluoromethyl)piperidine (CID 58083437) is 1-tert-butyl-2-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-tert-butyl-2-(trifluoromethyl)piperidine?
The canonical SMILES for 1-tert-butyl-2-(trifluoromethyl)piperidine is CC(C)(C)N1CCCCC1C(F)(F)F.
What is the InChIKey of 1-tert-butyl-2-(trifluoromethyl)piperidine?
The InChIKey is AVDJOEJEXNAOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N/c1-9(2,3)14-7-5-4-6-8(14)10(11,12)13/h8H,4-7H2,1-3H3.
What are the key properties of 1-tert-butyl-2-(trifluoromethyl)piperidine?
1-tert-butyl-2-(trifluoromethyl)piperidine has a molecular weight of 209.25 g/mol, XLogP of 3.20, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-(trifluoromethyl)piperidine is sourced from PubChem (CID 58083437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).