(E)-9-fluoro-5-(methylamino)-6-[(Z)-prop-1-enyl]dec-8-enal

C14H24FNO — CID 155394733

IUPAC(E)-9-fluoro-5-(methylamino)-6-[(Z)-prop-1-enyl]dec-8-enal
SMILESC/C=C\C(C/C=C(\C)F)C(CCCC=O)NC
InChIInChI=1S/C14H24FNO/c1-4-7-13(10-9-12(2)15)14(16-3)8-5-6-11-17/h4,7,9,11,13-14,16H,5-6,8,10H2,1-3H3/b7-4-,12-9+
InChIKeyQEVDSNVXYIDZCH-HYMFKDNVSA-N
MW241.35 g/mol
LogP3.40
Rot. Bonds9

About (E)-9-fluoro-5-(methylamino)-6-[(Z)-prop-1-enyl]dec-8-enal

(E)-9-fluoro-5-(methylamino)-6-[(Z)-prop-1-enyl]dec-8-enal (PubChem CID 155394733) has the molecular formula C14H24FNO and a molecular weight of 241.35 g/mol. Its IUPAC name is (E)-9-fluoro-5-(methylamino)-6-[(Z)-prop-1-enyl]dec-8-enal.

Molecular Properties

Compound Name(E)-9-fluoro-5-(methylamino)-6-[(Z)-prop-1-enyl]dec-8-enal
PubChem CID155394733
Molecular FormulaC14H24FNO
Molecular Weight241.35 g/mol
Exact Mass241.18
IUPAC Name(E)-9-fluoro-5-(methylamino)-6-[(Z)-prop-1-enyl]dec-8-enal
SMILESC/C=C\C(C/C=C(\C)F)C(CCCC=O)NC
InChIInChI=1S/C14H24FNO/c1-4-7-13(10-9-12(2)15)14(16-3)8-5-6-11-17/h4,7,9,11,13-14,16H,5-6,8,10H2,1-3H3/b7-4-,12-9+
InChIKeyQEVDSNVXYIDZCH-HYMFKDNVSA-N
XLogP3.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.35
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-9-fluoro-5-(methylamino)-6-[(Z)-prop-1-enyl]dec-8-enal?
The IUPAC name of (E)-9-fluoro-5-(methylamino)-6-[(Z)-prop-1-enyl]dec-8-enal (CID 155394733) is (E)-9-fluoro-5-(methylamino)-6-[(Z)-prop-1-enyl]dec-8-enal.
What is the SMILES notation for (E)-9-fluoro-5-(methylamino)-6-[(Z)-prop-1-enyl]dec-8-enal?
The canonical SMILES for (E)-9-fluoro-5-(methylamino)-6-[(Z)-prop-1-enyl]dec-8-enal is C/C=C\C(C/C=C(\C)F)C(CCCC=O)NC.
What is the InChIKey of (E)-9-fluoro-5-(methylamino)-6-[(Z)-prop-1-enyl]dec-8-enal?
The InChIKey is QEVDSNVXYIDZCH-HYMFKDNVSA-N. The full InChI is InChI=1S/C14H24FNO/c1-4-7-13(10-9-12(2)15)14(16-3)8-5-6-11-17/h4,7,9,11,13-14,16H,5-6,8,10H2,1-3H3/b7-4-,12-9+.
What are the key properties of (E)-9-fluoro-5-(methylamino)-6-[(Z)-prop-1-enyl]dec-8-enal?
(E)-9-fluoro-5-(methylamino)-6-[(Z)-prop-1-enyl]dec-8-enal has a molecular weight of 241.35 g/mol, XLogP of 3.40, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-9-fluoro-5-(methylamino)-6-[(Z)-prop-1-enyl]dec-8-enal is sourced from PubChem (CID 155394733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).