5-(difluoroamino)pentyl 2-methylprop-2-enoate

C9H15F2NO2 — CID 88835848

IUPAC5-(difluoroamino)pentyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCN(F)F
InChIInChI=1S/C9H15F2NO2/c1-8(2)9(13)14-7-5-3-4-6-12(10)11/h1,3-7H2,2H3
InChIKeyNMOZPWUGOHOBTR-UHFFFAOYSA-N
MW207.22 g/mol
LogP2.35
Rot. Bonds7

About 5-(difluoroamino)pentyl 2-methylprop-2-enoate

5-(difluoroamino)pentyl 2-methylprop-2-enoate (PubChem CID 88835848) has the molecular formula C9H15F2NO2 and a molecular weight of 207.22 g/mol. Its IUPAC name is 5-(difluoroamino)pentyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name5-(difluoroamino)pentyl 2-methylprop-2-enoate
PubChem CID88835848
Molecular FormulaC9H15F2NO2
Molecular Weight207.22 g/mol
Exact Mass207.11
IUPAC Name5-(difluoroamino)pentyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCN(F)F
InChIInChI=1S/C9H15F2NO2/c1-8(2)9(13)14-7-5-3-4-6-12(10)11/h1,3-7H2,2H3
InChIKeyNMOZPWUGOHOBTR-UHFFFAOYSA-N
XLogP2.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoroamino)pentyl 2-methylprop-2-enoate?
The IUPAC name of 5-(difluoroamino)pentyl 2-methylprop-2-enoate (CID 88835848) is 5-(difluoroamino)pentyl 2-methylprop-2-enoate.
What is the SMILES notation for 5-(difluoroamino)pentyl 2-methylprop-2-enoate?
The canonical SMILES for 5-(difluoroamino)pentyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCCN(F)F.
What is the InChIKey of 5-(difluoroamino)pentyl 2-methylprop-2-enoate?
The InChIKey is NMOZPWUGOHOBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO2/c1-8(2)9(13)14-7-5-3-4-6-12(10)11/h1,3-7H2,2H3.
What are the key properties of 5-(difluoroamino)pentyl 2-methylprop-2-enoate?
5-(difluoroamino)pentyl 2-methylprop-2-enoate has a molecular weight of 207.22 g/mol, XLogP of 2.35, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoroamino)pentyl 2-methylprop-2-enoate is sourced from PubChem (CID 88835848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).