1-[4-(trifluoromethyl)-1-[5-(trifluoromethyl)oxolan-3-yl]piperidin-4-yl]ethanamine

C13H20F6N2O — CID 170588882

IUPAC1-[4-(trifluoromethyl)-1-[5-(trifluoromethyl)oxolan-3-yl]piperidin-4-yl]ethanamine
SMILESCC(N)C1(C(F)(F)F)CCN(C2COC(C(F)(F)F)C2)CC1
InChIInChI=1S/C13H20F6N2O/c1-8(20)11(13(17,18)19)2-4-21(5-3-11)9-6-10(22-7-9)12(14,15)16/h8-10H,2-7,20H2,1H3
InChIKeyCCMRWFZDGXVPHR-UHFFFAOYSA-N
MW334.30 g/mol
LogP2.70
Rot. Bonds2

About 1-[4-(trifluoromethyl)-1-[5-(trifluoromethyl)oxolan-3-yl]piperidin-4-yl]ethanamine

1-[4-(trifluoromethyl)-1-[5-(trifluoromethyl)oxolan-3-yl]piperidin-4-yl]ethanamine (PubChem CID 170588882) has the molecular formula C13H20F6N2O and a molecular weight of 334.30 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)-1-[5-(trifluoromethyl)oxolan-3-yl]piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)-1-[5-(trifluoromethyl)oxolan-3-yl]piperidin-4-yl]ethanamine
PubChem CID170588882
Molecular FormulaC13H20F6N2O
Molecular Weight334.30 g/mol
Exact Mass334.15
IUPAC Name1-[4-(trifluoromethyl)-1-[5-(trifluoromethyl)oxolan-3-yl]piperidin-4-yl]ethanamine
SMILESCC(N)C1(C(F)(F)F)CCN(C2COC(C(F)(F)F)C2)CC1
InChIInChI=1S/C13H20F6N2O/c1-8(20)11(13(17,18)19)2-4-21(5-3-11)9-6-10(22-7-9)12(14,15)16/h8-10H,2-7,20H2,1H3
InChIKeyCCMRWFZDGXVPHR-UHFFFAOYSA-N
XLogP2.70
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethyl)-1-[5-(trifluoromethyl)oxolan-3-yl]piperidin-4-yl]ethanamine?
The IUPAC name of 1-[4-(trifluoromethyl)-1-[5-(trifluoromethyl)oxolan-3-yl]piperidin-4-yl]ethanamine (CID 170588882) is 1-[4-(trifluoromethyl)-1-[5-(trifluoromethyl)oxolan-3-yl]piperidin-4-yl]ethanamine.
What is the SMILES notation for 1-[4-(trifluoromethyl)-1-[5-(trifluoromethyl)oxolan-3-yl]piperidin-4-yl]ethanamine?
The canonical SMILES for 1-[4-(trifluoromethyl)-1-[5-(trifluoromethyl)oxolan-3-yl]piperidin-4-yl]ethanamine is CC(N)C1(C(F)(F)F)CCN(C2COC(C(F)(F)F)C2)CC1.
What is the InChIKey of 1-[4-(trifluoromethyl)-1-[5-(trifluoromethyl)oxolan-3-yl]piperidin-4-yl]ethanamine?
The InChIKey is CCMRWFZDGXVPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F6N2O/c1-8(20)11(13(17,18)19)2-4-21(5-3-11)9-6-10(22-7-9)12(14,15)16/h8-10H,2-7,20H2,1H3.
What are the key properties of 1-[4-(trifluoromethyl)-1-[5-(trifluoromethyl)oxolan-3-yl]piperidin-4-yl]ethanamine?
1-[4-(trifluoromethyl)-1-[5-(trifluoromethyl)oxolan-3-yl]piperidin-4-yl]ethanamine has a molecular weight of 334.30 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)-1-[5-(trifluoromethyl)oxolan-3-yl]piperidin-4-yl]ethanamine is sourced from PubChem (CID 170588882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).