2-fluoro-N-(iodomethyl)-N-methylpropan-1-amine

C5H11FIN — CID 170275915

IUPAC2-fluoro-N-(iodomethyl)-N-methylpropan-1-amine
SMILESCC(F)CN(C)CI
InChIInChI=1S/C5H11FIN/c1-5(6)3-8(2)4-7/h5H,3-4H2,1-2H3
InChIKeyNDNOJQMCYMCZLR-UHFFFAOYSA-N
MW231.05 g/mol
LogP1.67
Rot. Bonds3

About 2-fluoro-N-(iodomethyl)-N-methylpropan-1-amine

2-fluoro-N-(iodomethyl)-N-methylpropan-1-amine (PubChem CID 170275915) has the molecular formula C5H11FIN and a molecular weight of 231.05 g/mol. Its IUPAC name is 2-fluoro-N-(iodomethyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-fluoro-N-(iodomethyl)-N-methylpropan-1-amine
PubChem CID170275915
Molecular FormulaC5H11FIN
Molecular Weight231.05 g/mol
Exact Mass230.99
IUPAC Name2-fluoro-N-(iodomethyl)-N-methylpropan-1-amine
SMILESCC(F)CN(C)CI
InChIInChI=1S/C5H11FIN/c1-5(6)3-8(2)4-7/h5H,3-4H2,1-2H3
InChIKeyNDNOJQMCYMCZLR-UHFFFAOYSA-N
XLogP1.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.05
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(iodomethyl)-N-methylpropan-1-amine?
The IUPAC name of 2-fluoro-N-(iodomethyl)-N-methylpropan-1-amine (CID 170275915) is 2-fluoro-N-(iodomethyl)-N-methylpropan-1-amine.
What is the SMILES notation for 2-fluoro-N-(iodomethyl)-N-methylpropan-1-amine?
The canonical SMILES for 2-fluoro-N-(iodomethyl)-N-methylpropan-1-amine is CC(F)CN(C)CI.
What is the InChIKey of 2-fluoro-N-(iodomethyl)-N-methylpropan-1-amine?
The InChIKey is NDNOJQMCYMCZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11FIN/c1-5(6)3-8(2)4-7/h5H,3-4H2,1-2H3.
What are the key properties of 2-fluoro-N-(iodomethyl)-N-methylpropan-1-amine?
2-fluoro-N-(iodomethyl)-N-methylpropan-1-amine has a molecular weight of 231.05 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(iodomethyl)-N-methylpropan-1-amine is sourced from PubChem (CID 170275915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).