1-[3,5-bis(trifluoromethyl)piperidin-1-yl]-2,2-difluoro-N-methylethenamine

C10H12F8N2 — CID 146243710

IUPAC1-[3,5-bis(trifluoromethyl)piperidin-1-yl]-2,2-difluoro-N-methylethenamine
SMILESCNC(=C(F)F)N1CC(C(F)(F)F)CC(C(F)(F)F)C1
InChIInChI=1S/C10H12F8N2/c1-19-8(7(11)12)20-3-5(9(13,14)15)2-6(4-20)10(16,17)18/h5-6,19H,2-4H2,1H3
InChIKeyQEJSRXXMFWJTAP-UHFFFAOYSA-N
MW312.20 g/mol
LogP3.33
Rot. Bonds2

About 1-[3,5-bis(trifluoromethyl)piperidin-1-yl]-2,2-difluoro-N-methylethenamine

1-[3,5-bis(trifluoromethyl)piperidin-1-yl]-2,2-difluoro-N-methylethenamine (PubChem CID 146243710) has the molecular formula C10H12F8N2 and a molecular weight of 312.20 g/mol. Its IUPAC name is 1-[3,5-bis(trifluoromethyl)piperidin-1-yl]-2,2-difluoro-N-methylethenamine.

Molecular Properties

Compound Name1-[3,5-bis(trifluoromethyl)piperidin-1-yl]-2,2-difluoro-N-methylethenamine
PubChem CID146243710
Molecular FormulaC10H12F8N2
Molecular Weight312.20 g/mol
Exact Mass312.09
IUPAC Name1-[3,5-bis(trifluoromethyl)piperidin-1-yl]-2,2-difluoro-N-methylethenamine
SMILESCNC(=C(F)F)N1CC(C(F)(F)F)CC(C(F)(F)F)C1
InChIInChI=1S/C10H12F8N2/c1-19-8(7(11)12)20-3-5(9(13,14)15)2-6(4-20)10(16,17)18/h5-6,19H,2-4H2,1H3
InChIKeyQEJSRXXMFWJTAP-UHFFFAOYSA-N
XLogP3.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3,5-bis(trifluoromethyl)piperidin-1-yl]-2,2-difluoro-N-methylethenamine?
The IUPAC name of 1-[3,5-bis(trifluoromethyl)piperidin-1-yl]-2,2-difluoro-N-methylethenamine (CID 146243710) is 1-[3,5-bis(trifluoromethyl)piperidin-1-yl]-2,2-difluoro-N-methylethenamine.
What is the SMILES notation for 1-[3,5-bis(trifluoromethyl)piperidin-1-yl]-2,2-difluoro-N-methylethenamine?
The canonical SMILES for 1-[3,5-bis(trifluoromethyl)piperidin-1-yl]-2,2-difluoro-N-methylethenamine is CNC(=C(F)F)N1CC(C(F)(F)F)CC(C(F)(F)F)C1.
What is the InChIKey of 1-[3,5-bis(trifluoromethyl)piperidin-1-yl]-2,2-difluoro-N-methylethenamine?
The InChIKey is QEJSRXXMFWJTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F8N2/c1-19-8(7(11)12)20-3-5(9(13,14)15)2-6(4-20)10(16,17)18/h5-6,19H,2-4H2,1H3.
What are the key properties of 1-[3,5-bis(trifluoromethyl)piperidin-1-yl]-2,2-difluoro-N-methylethenamine?
1-[3,5-bis(trifluoromethyl)piperidin-1-yl]-2,2-difluoro-N-methylethenamine has a molecular weight of 312.20 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-bis(trifluoromethyl)piperidin-1-yl]-2,2-difluoro-N-methylethenamine is sourced from PubChem (CID 146243710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).