2-fluoro-2-[1-(2-fluoropent-2-en-3-yl)piperidin-3-ylidene]ethanamine

C12H20F2N2 — CID 90878920

IUPAC2-fluoro-2-[1-(2-fluoropent-2-en-3-yl)piperidin-3-ylidene]ethanamine
SMILESCCC(=C(C)F)N1CCCC(=C(F)CN)C1
InChIInChI=1S/C12H20F2N2/c1-3-12(9(2)13)16-6-4-5-10(8-16)11(14)7-15/h3-8,15H2,1-2H3
InChIKeyFQTNPHXPXCVHKO-UHFFFAOYSA-N
MW230.30 g/mol
LogP2.88
Rot. Bonds3

About 2-fluoro-2-[1-(2-fluoropent-2-en-3-yl)piperidin-3-ylidene]ethanamine

2-fluoro-2-[1-(2-fluoropent-2-en-3-yl)piperidin-3-ylidene]ethanamine (PubChem CID 90878920) has the molecular formula C12H20F2N2 and a molecular weight of 230.30 g/mol. Its IUPAC name is 2-fluoro-2-[1-(2-fluoropent-2-en-3-yl)piperidin-3-ylidene]ethanamine.

Molecular Properties

Compound Name2-fluoro-2-[1-(2-fluoropent-2-en-3-yl)piperidin-3-ylidene]ethanamine
PubChem CID90878920
Molecular FormulaC12H20F2N2
Molecular Weight230.30 g/mol
Exact Mass230.16
IUPAC Name2-fluoro-2-[1-(2-fluoropent-2-en-3-yl)piperidin-3-ylidene]ethanamine
SMILESCCC(=C(C)F)N1CCCC(=C(F)CN)C1
InChIInChI=1S/C12H20F2N2/c1-3-12(9(2)13)16-6-4-5-10(8-16)11(14)7-15/h3-8,15H2,1-2H3
InChIKeyFQTNPHXPXCVHKO-UHFFFAOYSA-N
XLogP2.88
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-[1-(2-fluoropent-2-en-3-yl)piperidin-3-ylidene]ethanamine?
The IUPAC name of 2-fluoro-2-[1-(2-fluoropent-2-en-3-yl)piperidin-3-ylidene]ethanamine (CID 90878920) is 2-fluoro-2-[1-(2-fluoropent-2-en-3-yl)piperidin-3-ylidene]ethanamine.
What is the SMILES notation for 2-fluoro-2-[1-(2-fluoropent-2-en-3-yl)piperidin-3-ylidene]ethanamine?
The canonical SMILES for 2-fluoro-2-[1-(2-fluoropent-2-en-3-yl)piperidin-3-ylidene]ethanamine is CCC(=C(C)F)N1CCCC(=C(F)CN)C1.
What is the InChIKey of 2-fluoro-2-[1-(2-fluoropent-2-en-3-yl)piperidin-3-ylidene]ethanamine?
The InChIKey is FQTNPHXPXCVHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2N2/c1-3-12(9(2)13)16-6-4-5-10(8-16)11(14)7-15/h3-8,15H2,1-2H3.
What are the key properties of 2-fluoro-2-[1-(2-fluoropent-2-en-3-yl)piperidin-3-ylidene]ethanamine?
2-fluoro-2-[1-(2-fluoropent-2-en-3-yl)piperidin-3-ylidene]ethanamine has a molecular weight of 230.30 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-[1-(2-fluoropent-2-en-3-yl)piperidin-3-ylidene]ethanamine is sourced from PubChem (CID 90878920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).