1-[4-(1,1-difluoroethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]-N-ethylethenamine

C13H21F5N2 — CID 177033066

IUPAC1-[4-(1,1-difluoroethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]-N-ethylethenamine
SMILESC=C(NCC)C1(C(C)(F)F)CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H21F5N2/c1-4-19-10(2)12(11(3,14)15)5-7-20(8-6-12)9-13(16,17)18/h19H,2,4-9H2,1,3H3
InChIKeyHQNGVDYBHWODJE-UHFFFAOYSA-N
MW300.32 g/mol
LogP3.41
Rot. Bonds5

About 1-[4-(1,1-difluoroethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]-N-ethylethenamine

1-[4-(1,1-difluoroethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]-N-ethylethenamine (PubChem CID 177033066) has the molecular formula C13H21F5N2 and a molecular weight of 300.32 g/mol. Its IUPAC name is 1-[4-(1,1-difluoroethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]-N-ethylethenamine.

Molecular Properties

Compound Name1-[4-(1,1-difluoroethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]-N-ethylethenamine
PubChem CID177033066
Molecular FormulaC13H21F5N2
Molecular Weight300.32 g/mol
Exact Mass300.16
IUPAC Name1-[4-(1,1-difluoroethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]-N-ethylethenamine
SMILESC=C(NCC)C1(C(C)(F)F)CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H21F5N2/c1-4-19-10(2)12(11(3,14)15)5-7-20(8-6-12)9-13(16,17)18/h19H,2,4-9H2,1,3H3
InChIKeyHQNGVDYBHWODJE-UHFFFAOYSA-N
XLogP3.41
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,1-difluoroethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]-N-ethylethenamine?
The IUPAC name of 1-[4-(1,1-difluoroethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]-N-ethylethenamine (CID 177033066) is 1-[4-(1,1-difluoroethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]-N-ethylethenamine.
What is the SMILES notation for 1-[4-(1,1-difluoroethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]-N-ethylethenamine?
The canonical SMILES for 1-[4-(1,1-difluoroethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]-N-ethylethenamine is C=C(NCC)C1(C(C)(F)F)CCN(CC(F)(F)F)CC1.
What is the InChIKey of 1-[4-(1,1-difluoroethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]-N-ethylethenamine?
The InChIKey is HQNGVDYBHWODJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F5N2/c1-4-19-10(2)12(11(3,14)15)5-7-20(8-6-12)9-13(16,17)18/h19H,2,4-9H2,1,3H3.
What are the key properties of 1-[4-(1,1-difluoroethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]-N-ethylethenamine?
1-[4-(1,1-difluoroethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]-N-ethylethenamine has a molecular weight of 300.32 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,1-difluoroethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]-N-ethylethenamine is sourced from PubChem (CID 177033066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).