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

C12H22FN — CID 145149074

IUPAC6-fluoro-N-[(Z)-prop-1-enyl]nonan-2-imine
SMILESC/C=C\N=C(/C)CCCC(F)CCC
InChIInChI=1S/C12H22FN/c1-4-7-12(13)9-6-8-11(3)14-10-5-2/h5,10,12H,4,6-9H2,1-3H3/b10-5-,14-11+
InChIKeyQMURPAGWQPWZKG-PQXZXJPFSA-N
MW199.31 g/mol
LogP4.29
Rot. Bonds7

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

6-fluoro-N-[(Z)-prop-1-enyl]nonan-2-imine (PubChem CID 145149074) has the molecular formula C12H22FN and a molecular weight of 199.31 g/mol. Its IUPAC name is 6-fluoro-N-[(Z)-prop-1-enyl]nonan-2-imine.

Molecular Properties

Compound Name6-fluoro-N-[(Z)-prop-1-enyl]nonan-2-imine
PubChem CID145149074
Molecular FormulaC12H22FN
Molecular Weight199.31 g/mol
Exact Mass199.17
IUPAC Name6-fluoro-N-[(Z)-prop-1-enyl]nonan-2-imine
SMILESC/C=C\N=C(/C)CCCC(F)CCC
InChIInChI=1S/C12H22FN/c1-4-7-12(13)9-6-8-11(3)14-10-5-2/h5,10,12H,4,6-9H2,1-3H3/b10-5-,14-11+
InChIKeyQMURPAGWQPWZKG-PQXZXJPFSA-N
XLogP4.29
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.31
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(1E)-2-fluorobuta-1,3-dienyl]decan-1-imine
CID 155136043
3-fluoro-N-[(Z)-pent-1-enyl]pentan-2-imine
CID 171815544
N-[(1Z)-buta-1,3-dienyl]-3-fluorobutan-2-imine
CID 142996717
N-[(1E)-2-fluorobuta-1,3-dienyl]pentan-2-imine
CID 168972303
N-[(Z)-prop-1-enyl]decan-2-imine
CID 88937235
N-dodec-1-enylbutan-2-imine
CID 141138012
N-dec-1-enylbutan-2-imine
CID 141138013
ethane;N-[(Z)-prop-1-enyl]pentan-2-imine
CID 142100044
ethane;N-[(Z)-prop-1-enyl]hexan-3-imine
CID 142112329
2-N-ethenyl-1-N-[(Z)-prop-1-enyl]cycloheptane-1,2-diimine
CID 143136182
ethane;N-[(Z)-prop-1-enyl]pentan-3-imine
CID 143749300
N-[(1Z)-buta-1,3-dienyl]hexan-3-imine
CID 144589955

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[(Z)-prop-1-enyl]nonan-2-imine?
The IUPAC name of 6-fluoro-N-[(Z)-prop-1-enyl]nonan-2-imine (CID 145149074) is 6-fluoro-N-[(Z)-prop-1-enyl]nonan-2-imine.
What is the SMILES notation for 6-fluoro-N-[(Z)-prop-1-enyl]nonan-2-imine?
The canonical SMILES for 6-fluoro-N-[(Z)-prop-1-enyl]nonan-2-imine is C/C=C\N=C(/C)CCCC(F)CCC.
What is the InChIKey of 6-fluoro-N-[(Z)-prop-1-enyl]nonan-2-imine?
The InChIKey is QMURPAGWQPWZKG-PQXZXJPFSA-N. The full InChI is InChI=1S/C12H22FN/c1-4-7-12(13)9-6-8-11(3)14-10-5-2/h5,10,12H,4,6-9H2,1-3H3/b10-5-,14-11+.
What are the key properties of 6-fluoro-N-[(Z)-prop-1-enyl]nonan-2-imine?
6-fluoro-N-[(Z)-prop-1-enyl]nonan-2-imine has a molecular weight of 199.31 g/mol, XLogP of 4.29, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[(Z)-prop-1-enyl]nonan-2-imine is sourced from PubChem (CID 145149074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).