3,3,3-trifluoro-N,N-dimethyl-1-piperidin-1-yl-2-(trifluoromethyl)prop-1-en-1-amine

C11H16F6N2 — CID 134923590

IUPAC3,3,3-trifluoro-N,N-dimethyl-1-piperidin-1-yl-2-(trifluoromethyl)prop-1-en-1-amine
SMILESCN(C)C(=C(C(F)(F)F)C(F)(F)F)N1CCCCC1
InChIInChI=1S/C11H16F6N2/c1-18(2)9(19-6-4-3-5-7-19)8(10(12,13)14)11(15,16)17/h3-7H2,1-2H3
InChIKeyNOIQYZOVLHNROB-UHFFFAOYSA-N
MW290.25 g/mol
LogP3.37
Rot. Bonds2

About 3,3,3-trifluoro-N,N-dimethyl-1-piperidin-1-yl-2-(trifluoromethyl)prop-1-en-1-amine

3,3,3-trifluoro-N,N-dimethyl-1-piperidin-1-yl-2-(trifluoromethyl)prop-1-en-1-amine (PubChem CID 134923590) has the molecular formula C11H16F6N2 and a molecular weight of 290.25 g/mol. Its IUPAC name is 3,3,3-trifluoro-N,N-dimethyl-1-piperidin-1-yl-2-(trifluoromethyl)prop-1-en-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-N,N-dimethyl-1-piperidin-1-yl-2-(trifluoromethyl)prop-1-en-1-amine
PubChem CID134923590
Molecular FormulaC11H16F6N2
Molecular Weight290.25 g/mol
Exact Mass290.12
IUPAC Name3,3,3-trifluoro-N,N-dimethyl-1-piperidin-1-yl-2-(trifluoromethyl)prop-1-en-1-amine
SMILESCN(C)C(=C(C(F)(F)F)C(F)(F)F)N1CCCCC1
InChIInChI=1S/C11H16F6N2/c1-18(2)9(19-6-4-3-5-7-19)8(10(12,13)14)11(15,16)17/h3-7H2,1-2H3
InChIKeyNOIQYZOVLHNROB-UHFFFAOYSA-N
XLogP3.37
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N,N-dimethyl-1-piperidin-1-yl-2-(trifluoromethyl)prop-1-en-1-amine?
The IUPAC name of 3,3,3-trifluoro-N,N-dimethyl-1-piperidin-1-yl-2-(trifluoromethyl)prop-1-en-1-amine (CID 134923590) is 3,3,3-trifluoro-N,N-dimethyl-1-piperidin-1-yl-2-(trifluoromethyl)prop-1-en-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-N,N-dimethyl-1-piperidin-1-yl-2-(trifluoromethyl)prop-1-en-1-amine?
The canonical SMILES for 3,3,3-trifluoro-N,N-dimethyl-1-piperidin-1-yl-2-(trifluoromethyl)prop-1-en-1-amine is CN(C)C(=C(C(F)(F)F)C(F)(F)F)N1CCCCC1.
What is the InChIKey of 3,3,3-trifluoro-N,N-dimethyl-1-piperidin-1-yl-2-(trifluoromethyl)prop-1-en-1-amine?
The InChIKey is NOIQYZOVLHNROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F6N2/c1-18(2)9(19-6-4-3-5-7-19)8(10(12,13)14)11(15,16)17/h3-7H2,1-2H3.
What are the key properties of 3,3,3-trifluoro-N,N-dimethyl-1-piperidin-1-yl-2-(trifluoromethyl)prop-1-en-1-amine?
3,3,3-trifluoro-N,N-dimethyl-1-piperidin-1-yl-2-(trifluoromethyl)prop-1-en-1-amine has a molecular weight of 290.25 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N,N-dimethyl-1-piperidin-1-yl-2-(trifluoromethyl)prop-1-en-1-amine is sourced from PubChem (CID 134923590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).