1-N-[(Z)-but-2-enyl]-1-N'-fluoro-1-N'-methylethane-1,1-diamine

C7H15FN2 — CID 156844580

IUPAC1-N-[(Z)-but-2-enyl]-1-N'-fluoro-1-N'-methylethane-1,1-diamine
SMILESC/C=C\CNC(C)N(C)F
InChIInChI=1S/C7H15FN2/c1-4-5-6-9-7(2)10(3)8/h4-5,7,9H,6H2,1-3H3/b5-4-
InChIKeyNONVFPXQTLTXFN-PLNGDYQASA-N
MW146.21 g/mol
LogP1.31
Rot. Bonds4

About 1-N-[(Z)-but-2-enyl]-1-N'-fluoro-1-N'-methylethane-1,1-diamine

1-N-[(Z)-but-2-enyl]-1-N'-fluoro-1-N'-methylethane-1,1-diamine (PubChem CID 156844580) has the molecular formula C7H15FN2 and a molecular weight of 146.21 g/mol. Its IUPAC name is 1-N-[(Z)-but-2-enyl]-1-N'-fluoro-1-N'-methylethane-1,1-diamine.

Molecular Properties

Compound Name1-N-[(Z)-but-2-enyl]-1-N'-fluoro-1-N'-methylethane-1,1-diamine
PubChem CID156844580
Molecular FormulaC7H15FN2
Molecular Weight146.21 g/mol
Exact Mass146.12
IUPAC Name1-N-[(Z)-but-2-enyl]-1-N'-fluoro-1-N'-methylethane-1,1-diamine
SMILESC/C=C\CNC(C)N(C)F
InChIInChI=1S/C7H15FN2/c1-4-5-6-9-7(2)10(3)8/h4-5,7,9H,6H2,1-3H3/b5-4-
InChIKeyNONVFPXQTLTXFN-PLNGDYQASA-N
XLogP1.31
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N-[(Z)-but-2-enyl]-1-N'-fluoro-1-N'-methylethane-1,1-diamine?
The IUPAC name of 1-N-[(Z)-but-2-enyl]-1-N'-fluoro-1-N'-methylethane-1,1-diamine (CID 156844580) is 1-N-[(Z)-but-2-enyl]-1-N'-fluoro-1-N'-methylethane-1,1-diamine.
What is the SMILES notation for 1-N-[(Z)-but-2-enyl]-1-N'-fluoro-1-N'-methylethane-1,1-diamine?
The canonical SMILES for 1-N-[(Z)-but-2-enyl]-1-N'-fluoro-1-N'-methylethane-1,1-diamine is C/C=C\CNC(C)N(C)F.
What is the InChIKey of 1-N-[(Z)-but-2-enyl]-1-N'-fluoro-1-N'-methylethane-1,1-diamine?
The InChIKey is NONVFPXQTLTXFN-PLNGDYQASA-N. The full InChI is InChI=1S/C7H15FN2/c1-4-5-6-9-7(2)10(3)8/h4-5,7,9H,6H2,1-3H3/b5-4-.
What are the key properties of 1-N-[(Z)-but-2-enyl]-1-N'-fluoro-1-N'-methylethane-1,1-diamine?
1-N-[(Z)-but-2-enyl]-1-N'-fluoro-1-N'-methylethane-1,1-diamine has a molecular weight of 146.21 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(Z)-but-2-enyl]-1-N'-fluoro-1-N'-methylethane-1,1-diamine is sourced from PubChem (CID 156844580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).