ethane;4-methyl-1-(2,2,2-trifluoroethyl)piperidine

C12H26F3N — CID 142345486

IUPACethane;4-methyl-1-(2,2,2-trifluoroethyl)piperidine
SMILESCC.CC.CC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C8H14F3N.2C2H6/c1-7-2-4-12(5-3-7)6-8(9,10)11;2*1-2/h7H,2-6H2,1H3;2*1-2H3
InChIKeyCFUUPLVMYQBDRW-UHFFFAOYSA-N
MW241.34 g/mol
LogP4.33
Rot. Bonds1

About ethane;4-methyl-1-(2,2,2-trifluoroethyl)piperidine

ethane;4-methyl-1-(2,2,2-trifluoroethyl)piperidine (PubChem CID 142345486) has the molecular formula C12H26F3N and a molecular weight of 241.34 g/mol. Its IUPAC name is ethane;4-methyl-1-(2,2,2-trifluoroethyl)piperidine.

Molecular Properties

Compound Nameethane;4-methyl-1-(2,2,2-trifluoroethyl)piperidine
PubChem CID142345486
Molecular FormulaC12H26F3N
Molecular Weight241.34 g/mol
Exact Mass241.20
IUPAC Nameethane;4-methyl-1-(2,2,2-trifluoroethyl)piperidine
SMILESCC.CC.CC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C8H14F3N.2C2H6/c1-7-2-4-12(5-3-7)6-8(9,10)11;2*1-2/h7H,2-6H2,1H3;2*1-2H3
InChIKeyCFUUPLVMYQBDRW-UHFFFAOYSA-N
XLogP4.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine
CID 122495210
4-methylsulfanyl-1-(2,2,2-trifluoroethyl)piperidine
CID 146488819
4-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine
CID 59416758
1-(3-bromo-2,2-dimethylpropyl)-4-methylpiperidine
CID 64999964
4-methyl-N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperidine-1-carboximidamide
CID 111752905
[2-methyl-1-(4-methylpiperidin-1-yl)propan-2-yl]-λ2-stannane
CID 174710196
4-methyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperidine-1-carboxamide
CID 71978851
4-methyl-1-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 65117458
ethane;1-ethyl-4-methylpiperidine
CID 143737046
N-methoxy-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 82706970
2-methyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propan-1-ol
CID 167468065
1-(2,2-dimethylpropyl)-4-methylazepane
CID 142575360

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-1-(2,2,2-trifluoroethyl)piperidine?
The IUPAC name of ethane;4-methyl-1-(2,2,2-trifluoroethyl)piperidine (CID 142345486) is ethane;4-methyl-1-(2,2,2-trifluoroethyl)piperidine.
What is the SMILES notation for ethane;4-methyl-1-(2,2,2-trifluoroethyl)piperidine?
The canonical SMILES for ethane;4-methyl-1-(2,2,2-trifluoroethyl)piperidine is CC.CC.CC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of ethane;4-methyl-1-(2,2,2-trifluoroethyl)piperidine?
The InChIKey is CFUUPLVMYQBDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N.2C2H6/c1-7-2-4-12(5-3-7)6-8(9,10)11;2*1-2/h7H,2-6H2,1H3;2*1-2H3.
What are the key properties of ethane;4-methyl-1-(2,2,2-trifluoroethyl)piperidine?
ethane;4-methyl-1-(2,2,2-trifluoroethyl)piperidine has a molecular weight of 241.34 g/mol, XLogP of 4.33, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-1-(2,2,2-trifluoroethyl)piperidine is sourced from PubChem (CID 142345486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).