(2Z)-5-fluoro-2-(1-fluoroethylidene)-N-methyl-1-(1-methylpyrrolidin-3-yl)hex-5-en-1-amine

C14H24F2N2 — CID 131969264

IUPAC(2Z)-5-fluoro-2-(1-fluoroethylidene)-N-methyl-1-(1-methylpyrrolidin-3-yl)hex-5-en-1-amine
SMILESC=C(F)CC/C(=C(\C)F)C(NC)C1CCN(C)C1
InChIInChI=1S/C14H24F2N2/c1-10(15)5-6-13(11(2)16)14(17-3)12-7-8-18(4)9-12/h12,14,17H,1,5-9H2,2-4H3/b13-11-
InChIKeyFLNXRCUEGJMIJR-QBFSEMIESA-N
MW258.36 g/mol
LogP3.03
Rot. Bonds6

About (2Z)-5-fluoro-2-(1-fluoroethylidene)-N-methyl-1-(1-methylpyrrolidin-3-yl)hex-5-en-1-amine

(2Z)-5-fluoro-2-(1-fluoroethylidene)-N-methyl-1-(1-methylpyrrolidin-3-yl)hex-5-en-1-amine (PubChem CID 131969264) has the molecular formula C14H24F2N2 and a molecular weight of 258.36 g/mol. Its IUPAC name is (2Z)-5-fluoro-2-(1-fluoroethylidene)-N-methyl-1-(1-methylpyrrolidin-3-yl)hex-5-en-1-amine.

Molecular Properties

Compound Name(2Z)-5-fluoro-2-(1-fluoroethylidene)-N-methyl-1-(1-methylpyrrolidin-3-yl)hex-5-en-1-amine
PubChem CID131969264
Molecular FormulaC14H24F2N2
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name(2Z)-5-fluoro-2-(1-fluoroethylidene)-N-methyl-1-(1-methylpyrrolidin-3-yl)hex-5-en-1-amine
SMILESC=C(F)CC/C(=C(\C)F)C(NC)C1CCN(C)C1
InChIInChI=1S/C14H24F2N2/c1-10(15)5-6-13(11(2)16)14(17-3)12-7-8-18(4)9-12/h12,14,17H,1,5-9H2,2-4H3/b13-11-
InChIKeyFLNXRCUEGJMIJR-QBFSEMIESA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2Z)-5-fluoro-2-(1-fluoroethylidene)-N-methyl-1-(1-methylpyrrolidin-3-yl)hex-5-en-1-amine?
The IUPAC name of (2Z)-5-fluoro-2-(1-fluoroethylidene)-N-methyl-1-(1-methylpyrrolidin-3-yl)hex-5-en-1-amine (CID 131969264) is (2Z)-5-fluoro-2-(1-fluoroethylidene)-N-methyl-1-(1-methylpyrrolidin-3-yl)hex-5-en-1-amine.
What is the SMILES notation for (2Z)-5-fluoro-2-(1-fluoroethylidene)-N-methyl-1-(1-methylpyrrolidin-3-yl)hex-5-en-1-amine?
The canonical SMILES for (2Z)-5-fluoro-2-(1-fluoroethylidene)-N-methyl-1-(1-methylpyrrolidin-3-yl)hex-5-en-1-amine is C=C(F)CC/C(=C(\C)F)C(NC)C1CCN(C)C1.
What is the InChIKey of (2Z)-5-fluoro-2-(1-fluoroethylidene)-N-methyl-1-(1-methylpyrrolidin-3-yl)hex-5-en-1-amine?
The InChIKey is FLNXRCUEGJMIJR-QBFSEMIESA-N. The full InChI is InChI=1S/C14H24F2N2/c1-10(15)5-6-13(11(2)16)14(17-3)12-7-8-18(4)9-12/h12,14,17H,1,5-9H2,2-4H3/b13-11-.
What are the key properties of (2Z)-5-fluoro-2-(1-fluoroethylidene)-N-methyl-1-(1-methylpyrrolidin-3-yl)hex-5-en-1-amine?
(2Z)-5-fluoro-2-(1-fluoroethylidene)-N-methyl-1-(1-methylpyrrolidin-3-yl)hex-5-en-1-amine has a molecular weight of 258.36 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-5-fluoro-2-(1-fluoroethylidene)-N-methyl-1-(1-methylpyrrolidin-3-yl)hex-5-en-1-amine is sourced from PubChem (CID 131969264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).