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

C6H12FN — CID 166140813

IUPAC2-fluoro-N-prop-1-en-2-ylpropan-1-amine
SMILESC=C(C)NCC(C)F
InChIInChI=1S/C6H12FN/c1-5(2)8-4-6(3)7/h6,8H,1,4H2,2-3H3
InChIKeyQBARHDUOIGQYPK-UHFFFAOYSA-N
MW117.17 g/mol
LogP1.47
Rot. Bonds3

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

2-fluoro-N-prop-1-en-2-ylpropan-1-amine (PubChem CID 166140813) 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-1-amine.

Molecular Properties

Compound Name2-fluoro-N-prop-1-en-2-ylpropan-1-amine
PubChem CID166140813
Molecular FormulaC6H12FN
Molecular Weight117.17 g/mol
Exact Mass117.10
IUPAC Name2-fluoro-N-prop-1-en-2-ylpropan-1-amine
SMILESC=C(C)NCC(C)F
InChIInChI=1S/C6H12FN/c1-5(2)8-4-6(3)7/h6,8H,1,4H2,2-3H3
InChIKeyQBARHDUOIGQYPK-UHFFFAOYSA-N
XLogP1.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.17
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-prop-1-en-2-ylpropan-1-amine?
The IUPAC name of 2-fluoro-N-prop-1-en-2-ylpropan-1-amine (CID 166140813) is 2-fluoro-N-prop-1-en-2-ylpropan-1-amine.
What is the SMILES notation for 2-fluoro-N-prop-1-en-2-ylpropan-1-amine?
The canonical SMILES for 2-fluoro-N-prop-1-en-2-ylpropan-1-amine is C=C(C)NCC(C)F.
What is the InChIKey of 2-fluoro-N-prop-1-en-2-ylpropan-1-amine?
The InChIKey is QBARHDUOIGQYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FN/c1-5(2)8-4-6(3)7/h6,8H,1,4H2,2-3H3.
What are the key properties of 2-fluoro-N-prop-1-en-2-ylpropan-1-amine?
2-fluoro-N-prop-1-en-2-ylpropan-1-amine has a molecular weight of 117.17 g/mol, XLogP of 1.47, 3 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-1-amine is sourced from PubChem (CID 166140813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).