2-fluoro-N-prop-1-en-2-ylpropan-2-amine

C6H12FN — CID 138640097

IUPAC2-fluoro-N-prop-1-en-2-ylpropan-2-amine
SMILESC=C(C)NC(C)(C)F
InChIInChI=1S/C6H12FN/c1-5(2)8-6(3,4)7/h8H,1H2,2-4H3
InChIKeyPAOBVLKFQRODKZ-UHFFFAOYSA-N
MW117.17 g/mol
LogP1.82
Rot. Bonds2

About 2-fluoro-N-prop-1-en-2-ylpropan-2-amine

2-fluoro-N-prop-1-en-2-ylpropan-2-amine (PubChem CID 138640097) has the molecular formula C6H12FN and a molecular weight of 117.17 g/mol. Its IUPAC name is 2-fluoro-N-prop-1-en-2-ylpropan-2-amine.

Molecular Properties

Compound Name2-fluoro-N-prop-1-en-2-ylpropan-2-amine
PubChem CID138640097
Molecular FormulaC6H12FN
Molecular Weight117.17 g/mol
Exact Mass117.10
IUPAC Name2-fluoro-N-prop-1-en-2-ylpropan-2-amine
SMILESC=C(C)NC(C)(C)F
InChIInChI=1S/C6H12FN/c1-5(2)8-6(3,4)7/h8H,1H2,2-4H3
InChIKeyPAOBVLKFQRODKZ-UHFFFAOYSA-N
XLogP1.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.17
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-prop-1-en-2-ylpropan-2-amine?
The IUPAC name of 2-fluoro-N-prop-1-en-2-ylpropan-2-amine (CID 138640097) is 2-fluoro-N-prop-1-en-2-ylpropan-2-amine.
What is the SMILES notation for 2-fluoro-N-prop-1-en-2-ylpropan-2-amine?
The canonical SMILES for 2-fluoro-N-prop-1-en-2-ylpropan-2-amine is C=C(C)NC(C)(C)F.
What is the InChIKey of 2-fluoro-N-prop-1-en-2-ylpropan-2-amine?
The InChIKey is PAOBVLKFQRODKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FN/c1-5(2)8-6(3,4)7/h8H,1H2,2-4H3.
What are the key properties of 2-fluoro-N-prop-1-en-2-ylpropan-2-amine?
2-fluoro-N-prop-1-en-2-ylpropan-2-amine has a molecular weight of 117.17 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-prop-1-en-2-ylpropan-2-amine is sourced from PubChem (CID 138640097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).