N-[(E)-2-fluorohex-1-enyl]propan-1-imine

C9H16FN — CID 137400300

IUPACN-[(E)-2-fluorohex-1-enyl]propan-1-imine
SMILESCC/C=N/C=C(/F)CCCC
InChIInChI=1S/C9H16FN/c1-3-5-6-9(10)8-11-7-4-2/h7-8H,3-6H2,1-2H3/b9-8+,11-7+
InChIKeyFWJXCWWLQULXIC-WSMCZHAYSA-N
MW157.23 g/mol
LogP3.47
Rot. Bonds5

About N-[(E)-2-fluorohex-1-enyl]propan-1-imine

N-[(E)-2-fluorohex-1-enyl]propan-1-imine (PubChem CID 137400300) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is N-[(E)-2-fluorohex-1-enyl]propan-1-imine.

Molecular Properties

Compound NameN-[(E)-2-fluorohex-1-enyl]propan-1-imine
PubChem CID137400300
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC NameN-[(E)-2-fluorohex-1-enyl]propan-1-imine
SMILESCC/C=N/C=C(/F)CCCC
InChIInChI=1S/C9H16FN/c1-3-5-6-9(10)8-11-7-4-2/h7-8H,3-6H2,1-2H3/b9-8+,11-7+
InChIKeyFWJXCWWLQULXIC-WSMCZHAYSA-N
XLogP3.47
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 53.47
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

4-fluoroundec-3-ene
CID 141013194
ethane;(E)-3-methyl-4-(propylideneamino)but-3-en-1-amine
CID 142002928
N-propylideneundecanamide
CID 90933467
N-[(1E,3E)-2,3-dimethylhexa-1,3-dienyl]propan-1-imine
CID 145087914
5-(difluoromethylidene)nonane
CID 86233125
heptadecane;hypofluorous acid
CID 158426244
(Z)-N,3-dimethyl-1-(propylideneamino)but-1-en-2-amine
CID 169142407
1,1-difluorobut-1-ene;pentanoic acid
CID 174479516
4-methyloct-3-ene
CID 85445337
(2E,4Z,6E)-6-methyl-7-(propylideneamino)hepta-2,4,6-trien-3-amine
CID 166698919
(1E)-1-(dimethylhydrazinylidene)heptan-3-one
CID 14786269
(5Z,7Z)-N,N,6-trimethyldeca-5,7-dien-5-amine
CID 134424615

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-fluorohex-1-enyl]propan-1-imine?
The IUPAC name of N-[(E)-2-fluorohex-1-enyl]propan-1-imine (CID 137400300) is N-[(E)-2-fluorohex-1-enyl]propan-1-imine.
What is the SMILES notation for N-[(E)-2-fluorohex-1-enyl]propan-1-imine?
The canonical SMILES for N-[(E)-2-fluorohex-1-enyl]propan-1-imine is CC/C=N/C=C(/F)CCCC.
What is the InChIKey of N-[(E)-2-fluorohex-1-enyl]propan-1-imine?
The InChIKey is FWJXCWWLQULXIC-WSMCZHAYSA-N. The full InChI is InChI=1S/C9H16FN/c1-3-5-6-9(10)8-11-7-4-2/h7-8H,3-6H2,1-2H3/b9-8+,11-7+.
What are the key properties of N-[(E)-2-fluorohex-1-enyl]propan-1-imine?
N-[(E)-2-fluorohex-1-enyl]propan-1-imine has a molecular weight of 157.23 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-fluorohex-1-enyl]propan-1-imine is sourced from PubChem (CID 137400300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).