ethane;6-fluoro-N-[(Z)-prop-1-enyl]nonan-2-imine

C14H28FN — CID 145149073

IUPACethane;6-fluoro-N-[(Z)-prop-1-enyl]nonan-2-imine
SMILESC/C=C\N=C(/C)CCCC(F)CCC.CC
InChIInChI=1S/C12H22FN.C2H6/c1-4-7-12(13)9-6-8-11(3)14-10-5-2;1-2/h5,10,12H,4,6-9H2,1-3H3;1-2H3/b10-5-,14-11+;
InChIKeyLIXWHSPTFFFZFS-JBVMXWIWSA-N
MW229.38 g/mol
LogP5.32
Rot. Bonds7

About ethane;6-fluoro-N-[(Z)-prop-1-enyl]nonan-2-imine

ethane;6-fluoro-N-[(Z)-prop-1-enyl]nonan-2-imine (PubChem CID 145149073) has the molecular formula C14H28FN and a molecular weight of 229.38 g/mol. Its IUPAC name is ethane;6-fluoro-N-[(Z)-prop-1-enyl]nonan-2-imine.

Molecular Properties

Compound Nameethane;6-fluoro-N-[(Z)-prop-1-enyl]nonan-2-imine
PubChem CID145149073
Molecular FormulaC14H28FN
Molecular Weight229.38 g/mol
Exact Mass229.22
IUPAC Nameethane;6-fluoro-N-[(Z)-prop-1-enyl]nonan-2-imine
SMILESC/C=C\N=C(/C)CCCC(F)CCC.CC
InChIInChI=1S/C12H22FN.C2H6/c1-4-7-12(13)9-6-8-11(3)14-10-5-2;1-2/h5,10,12H,4,6-9H2,1-3H3;1-2H3/b10-5-,14-11+;
InChIKeyLIXWHSPTFFFZFS-JBVMXWIWSA-N
XLogP5.32
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500229.38
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;6-fluoro-N-[(Z)-prop-1-enyl]nonan-2-imine?
The IUPAC name of ethane;6-fluoro-N-[(Z)-prop-1-enyl]nonan-2-imine (CID 145149073) is ethane;6-fluoro-N-[(Z)-prop-1-enyl]nonan-2-imine.
What is the SMILES notation for ethane;6-fluoro-N-[(Z)-prop-1-enyl]nonan-2-imine?
The canonical SMILES for ethane;6-fluoro-N-[(Z)-prop-1-enyl]nonan-2-imine is C/C=C\N=C(/C)CCCC(F)CCC.CC.
What is the InChIKey of ethane;6-fluoro-N-[(Z)-prop-1-enyl]nonan-2-imine?
The InChIKey is LIXWHSPTFFFZFS-JBVMXWIWSA-N. The full InChI is InChI=1S/C12H22FN.C2H6/c1-4-7-12(13)9-6-8-11(3)14-10-5-2;1-2/h5,10,12H,4,6-9H2,1-3H3;1-2H3/b10-5-,14-11+;.
What are the key properties of ethane;6-fluoro-N-[(Z)-prop-1-enyl]nonan-2-imine?
ethane;6-fluoro-N-[(Z)-prop-1-enyl]nonan-2-imine has a molecular weight of 229.38 g/mol, XLogP of 5.32, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-fluoro-N-[(Z)-prop-1-enyl]nonan-2-imine is sourced from PubChem (CID 145149073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).