1-[(Z)-4-[(E)-[(3Z)-3-(fluoromethylidene)-1,4-dioxan-2-ylidene]methyl]hex-4-enyl]pyrrolidine

C16H24FNO2 — CID 144839997

IUPAC1-[(Z)-4-[(E)-[(3Z)-3-(fluoromethylidene)-1,4-dioxan-2-ylidene]methyl]hex-4-enyl]pyrrolidine
SMILESC/C=C(\C=C1\OCCO\C1=C/F)CCCN1CCCC1
InChIInChI=1S/C16H24FNO2/c1-2-14(6-5-9-18-7-3-4-8-18)12-15-16(13-17)20-11-10-19-15/h2,12-13H,3-11H2,1H3/b14-2-,15-12+,16-13-
InChIKeyORROHQLAVPZZJJ-FLKVVEPWSA-N
MW281.37 g/mol
LogP3.55
Rot. Bonds5

About 1-[(Z)-4-[(E)-[(3Z)-3-(fluoromethylidene)-1,4-dioxan-2-ylidene]methyl]hex-4-enyl]pyrrolidine

1-[(Z)-4-[(E)-[(3Z)-3-(fluoromethylidene)-1,4-dioxan-2-ylidene]methyl]hex-4-enyl]pyrrolidine (PubChem CID 144839997) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is 1-[(Z)-4-[(E)-[(3Z)-3-(fluoromethylidene)-1,4-dioxan-2-ylidene]methyl]hex-4-enyl]pyrrolidine.

Molecular Properties

Compound Name1-[(Z)-4-[(E)-[(3Z)-3-(fluoromethylidene)-1,4-dioxan-2-ylidene]methyl]hex-4-enyl]pyrrolidine
PubChem CID144839997
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC Name1-[(Z)-4-[(E)-[(3Z)-3-(fluoromethylidene)-1,4-dioxan-2-ylidene]methyl]hex-4-enyl]pyrrolidine
SMILESC/C=C(\C=C1\OCCO\C1=C/F)CCCN1CCCC1
InChIInChI=1S/C16H24FNO2/c1-2-14(6-5-9-18-7-3-4-8-18)12-15-16(13-17)20-11-10-19-15/h2,12-13H,3-11H2,1H3/b14-2-,15-12+,16-13-
InChIKeyORROHQLAVPZZJJ-FLKVVEPWSA-N
XLogP3.55
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-4-[(E)-[(3Z)-3-(fluoromethylidene)-1,4-dioxan-2-ylidene]methyl]hex-4-enyl]pyrrolidine?
The IUPAC name of 1-[(Z)-4-[(E)-[(3Z)-3-(fluoromethylidene)-1,4-dioxan-2-ylidene]methyl]hex-4-enyl]pyrrolidine (CID 144839997) is 1-[(Z)-4-[(E)-[(3Z)-3-(fluoromethylidene)-1,4-dioxan-2-ylidene]methyl]hex-4-enyl]pyrrolidine.
What is the SMILES notation for 1-[(Z)-4-[(E)-[(3Z)-3-(fluoromethylidene)-1,4-dioxan-2-ylidene]methyl]hex-4-enyl]pyrrolidine?
The canonical SMILES for 1-[(Z)-4-[(E)-[(3Z)-3-(fluoromethylidene)-1,4-dioxan-2-ylidene]methyl]hex-4-enyl]pyrrolidine is C/C=C(\C=C1\OCCO\C1=C/F)CCCN1CCCC1.
What is the InChIKey of 1-[(Z)-4-[(E)-[(3Z)-3-(fluoromethylidene)-1,4-dioxan-2-ylidene]methyl]hex-4-enyl]pyrrolidine?
The InChIKey is ORROHQLAVPZZJJ-FLKVVEPWSA-N. The full InChI is InChI=1S/C16H24FNO2/c1-2-14(6-5-9-18-7-3-4-8-18)12-15-16(13-17)20-11-10-19-15/h2,12-13H,3-11H2,1H3/b14-2-,15-12+,16-13-.
What are the key properties of 1-[(Z)-4-[(E)-[(3Z)-3-(fluoromethylidene)-1,4-dioxan-2-ylidene]methyl]hex-4-enyl]pyrrolidine?
1-[(Z)-4-[(E)-[(3Z)-3-(fluoromethylidene)-1,4-dioxan-2-ylidene]methyl]hex-4-enyl]pyrrolidine has a molecular weight of 281.37 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-4-[(E)-[(3Z)-3-(fluoromethylidene)-1,4-dioxan-2-ylidene]methyl]hex-4-enyl]pyrrolidine is sourced from PubChem (CID 144839997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).