N'-[(3Z)-4-fluoro-3-prop-1-en-2-ylhexa-1,3,5-trien-2-yl]propane-1,3-diamine

C12H19FN2 — CID 143520895

IUPACN'-[(3Z)-4-fluoro-3-prop-1-en-2-ylhexa-1,3,5-trien-2-yl]propane-1,3-diamine
SMILESC=C/C(F)=C(\C(=C)C)C(=C)NCCCN
InChIInChI=1S/C12H19FN2/c1-5-11(13)12(9(2)3)10(4)15-8-6-7-14/h5,15H,1-2,4,6-8,14H2,3H3/b12-11-
InChIKeyFTNKJSQRGFOSEU-QXMHVHEDSA-N
MW210.30 g/mol
LogP2.42
Rot. Bonds7

About N'-[(3Z)-4-fluoro-3-prop-1-en-2-ylhexa-1,3,5-trien-2-yl]propane-1,3-diamine

N'-[(3Z)-4-fluoro-3-prop-1-en-2-ylhexa-1,3,5-trien-2-yl]propane-1,3-diamine (PubChem CID 143520895) has the molecular formula C12H19FN2 and a molecular weight of 210.30 g/mol. Its IUPAC name is N'-[(3Z)-4-fluoro-3-prop-1-en-2-ylhexa-1,3,5-trien-2-yl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[(3Z)-4-fluoro-3-prop-1-en-2-ylhexa-1,3,5-trien-2-yl]propane-1,3-diamine
PubChem CID143520895
Molecular FormulaC12H19FN2
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC NameN'-[(3Z)-4-fluoro-3-prop-1-en-2-ylhexa-1,3,5-trien-2-yl]propane-1,3-diamine
SMILESC=C/C(F)=C(\C(=C)C)C(=C)NCCCN
InChIInChI=1S/C12H19FN2/c1-5-11(13)12(9(2)3)10(4)15-8-6-7-14/h5,15H,1-2,4,6-8,14H2,3H3/b12-11-
InChIKeyFTNKJSQRGFOSEU-QXMHVHEDSA-N
XLogP2.42
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(3Z)-4-fluoro-3-prop-1-en-2-ylhexa-1,3,5-trien-2-yl]propane-1,3-diamine?
The IUPAC name of N'-[(3Z)-4-fluoro-3-prop-1-en-2-ylhexa-1,3,5-trien-2-yl]propane-1,3-diamine (CID 143520895) is N'-[(3Z)-4-fluoro-3-prop-1-en-2-ylhexa-1,3,5-trien-2-yl]propane-1,3-diamine.
What is the SMILES notation for N'-[(3Z)-4-fluoro-3-prop-1-en-2-ylhexa-1,3,5-trien-2-yl]propane-1,3-diamine?
The canonical SMILES for N'-[(3Z)-4-fluoro-3-prop-1-en-2-ylhexa-1,3,5-trien-2-yl]propane-1,3-diamine is C=C/C(F)=C(\C(=C)C)C(=C)NCCCN.
What is the InChIKey of N'-[(3Z)-4-fluoro-3-prop-1-en-2-ylhexa-1,3,5-trien-2-yl]propane-1,3-diamine?
The InChIKey is FTNKJSQRGFOSEU-QXMHVHEDSA-N. The full InChI is InChI=1S/C12H19FN2/c1-5-11(13)12(9(2)3)10(4)15-8-6-7-14/h5,15H,1-2,4,6-8,14H2,3H3/b12-11-.
What are the key properties of N'-[(3Z)-4-fluoro-3-prop-1-en-2-ylhexa-1,3,5-trien-2-yl]propane-1,3-diamine?
N'-[(3Z)-4-fluoro-3-prop-1-en-2-ylhexa-1,3,5-trien-2-yl]propane-1,3-diamine has a molecular weight of 210.30 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3Z)-4-fluoro-3-prop-1-en-2-ylhexa-1,3,5-trien-2-yl]propane-1,3-diamine is sourced from PubChem (CID 143520895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).