2-fluoro-1-N'-non-1-en-2-ylethane-1,1-diamine

C11H23FN2 — CID 130276589

IUPAC2-fluoro-1-N'-non-1-en-2-ylethane-1,1-diamine
SMILESC=C(CCCCCCC)NC(N)CF
InChIInChI=1S/C11H23FN2/c1-3-4-5-6-7-8-10(2)14-11(13)9-12/h11,14H,2-9,13H2,1H3
InChIKeyNBLAPQRPYSEQSM-UHFFFAOYSA-N
MW202.32 g/mol
LogP2.70
Rot. Bonds9

About 2-fluoro-1-N'-non-1-en-2-ylethane-1,1-diamine

2-fluoro-1-N'-non-1-en-2-ylethane-1,1-diamine (PubChem CID 130276589) has the molecular formula C11H23FN2 and a molecular weight of 202.32 g/mol. Its IUPAC name is 2-fluoro-1-N'-non-1-en-2-ylethane-1,1-diamine.

Molecular Properties

Compound Name2-fluoro-1-N'-non-1-en-2-ylethane-1,1-diamine
PubChem CID130276589
Molecular FormulaC11H23FN2
Molecular Weight202.32 g/mol
Exact Mass202.18
IUPAC Name2-fluoro-1-N'-non-1-en-2-ylethane-1,1-diamine
SMILESC=C(CCCCCCC)NC(N)CF
InChIInChI=1S/C11H23FN2/c1-3-4-5-6-7-8-10(2)14-11(13)9-12/h11,14H,2-9,13H2,1H3
InChIKeyNBLAPQRPYSEQSM-UHFFFAOYSA-N
XLogP2.70
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-N'-non-1-en-2-ylethane-1,1-diamine?
The IUPAC name of 2-fluoro-1-N'-non-1-en-2-ylethane-1,1-diamine (CID 130276589) is 2-fluoro-1-N'-non-1-en-2-ylethane-1,1-diamine.
What is the SMILES notation for 2-fluoro-1-N'-non-1-en-2-ylethane-1,1-diamine?
The canonical SMILES for 2-fluoro-1-N'-non-1-en-2-ylethane-1,1-diamine is C=C(CCCCCCC)NC(N)CF.
What is the InChIKey of 2-fluoro-1-N'-non-1-en-2-ylethane-1,1-diamine?
The InChIKey is NBLAPQRPYSEQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23FN2/c1-3-4-5-6-7-8-10(2)14-11(13)9-12/h11,14H,2-9,13H2,1H3.
What are the key properties of 2-fluoro-1-N'-non-1-en-2-ylethane-1,1-diamine?
2-fluoro-1-N'-non-1-en-2-ylethane-1,1-diamine has a molecular weight of 202.32 g/mol, XLogP of 2.70, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-N'-non-1-en-2-ylethane-1,1-diamine is sourced from PubChem (CID 130276589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).