(2Z)-2-fluoro-2-(1-methylpyrrolidin-3-ylidene)ethanamine

C7H13FN2 — CID 68997875

IUPAC(2Z)-2-fluoro-2-(1-methylpyrrolidin-3-ylidene)ethanamine
SMILESCN1CC/C(=C(/F)CN)C1
InChIInChI=1S/C7H13FN2/c1-10-3-2-6(5-10)7(8)4-9/h2-5,9H2,1H3/b7-6-
InChIKeyQQTXHEMPYNOUTI-SREVYHEPSA-N
MW144.19 g/mol
LogP0.50
Rot. Bonds1

About (2Z)-2-fluoro-2-(1-methylpyrrolidin-3-ylidene)ethanamine

(2Z)-2-fluoro-2-(1-methylpyrrolidin-3-ylidene)ethanamine (PubChem CID 68997875) has the molecular formula C7H13FN2 and a molecular weight of 144.19 g/mol. Its IUPAC name is (2Z)-2-fluoro-2-(1-methylpyrrolidin-3-ylidene)ethanamine.

Molecular Properties

Compound Name(2Z)-2-fluoro-2-(1-methylpyrrolidin-3-ylidene)ethanamine
PubChem CID68997875
Molecular FormulaC7H13FN2
Molecular Weight144.19 g/mol
Exact Mass144.11
IUPAC Name(2Z)-2-fluoro-2-(1-methylpyrrolidin-3-ylidene)ethanamine
SMILESCN1CC/C(=C(/F)CN)C1
InChIInChI=1S/C7H13FN2/c1-10-3-2-6(5-10)7(8)4-9/h2-5,9H2,1H3/b7-6-
InChIKeyQQTXHEMPYNOUTI-SREVYHEPSA-N
XLogP0.50
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-fluoro-2-(1-methylpyrrolidin-3-ylidene)ethanamine?
The IUPAC name of (2Z)-2-fluoro-2-(1-methylpyrrolidin-3-ylidene)ethanamine (CID 68997875) is (2Z)-2-fluoro-2-(1-methylpyrrolidin-3-ylidene)ethanamine.
What is the SMILES notation for (2Z)-2-fluoro-2-(1-methylpyrrolidin-3-ylidene)ethanamine?
The canonical SMILES for (2Z)-2-fluoro-2-(1-methylpyrrolidin-3-ylidene)ethanamine is CN1CC/C(=C(/F)CN)C1.
What is the InChIKey of (2Z)-2-fluoro-2-(1-methylpyrrolidin-3-ylidene)ethanamine?
The InChIKey is QQTXHEMPYNOUTI-SREVYHEPSA-N. The full InChI is InChI=1S/C7H13FN2/c1-10-3-2-6(5-10)7(8)4-9/h2-5,9H2,1H3/b7-6-.
What are the key properties of (2Z)-2-fluoro-2-(1-methylpyrrolidin-3-ylidene)ethanamine?
(2Z)-2-fluoro-2-(1-methylpyrrolidin-3-ylidene)ethanamine has a molecular weight of 144.19 g/mol, XLogP of 0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-fluoro-2-(1-methylpyrrolidin-3-ylidene)ethanamine is sourced from PubChem (CID 68997875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).