2-fluoro-N,2-dimethylpropan-1-amine

C5H12FN — CID 72698936

IUPAC2-fluoro-N,2-dimethylpropan-1-amine
SMILESCNCC(C)(C)F
InChIInChI=1S/C5H12FN/c1-5(2,6)4-7-3/h7H,4H2,1-3H3
InChIKeyPGSSCKBWEIHNSR-UHFFFAOYSA-N
MW105.16 g/mol
LogP0.95
Rot. Bonds2

About 2-fluoro-N,2-dimethylpropan-1-amine

2-fluoro-N,2-dimethylpropan-1-amine (PubChem CID 72698936) has the molecular formula C5H12FN and a molecular weight of 105.16 g/mol. Its IUPAC name is 2-fluoro-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name2-fluoro-N,2-dimethylpropan-1-amine
PubChem CID72698936
Molecular FormulaC5H12FN
Molecular Weight105.16 g/mol
Exact Mass105.10
IUPAC Name2-fluoro-N,2-dimethylpropan-1-amine
SMILESCNCC(C)(C)F
InChIInChI=1S/C5H12FN/c1-5(2,6)4-7-3/h7H,4H2,1-3H3
InChIKeyPGSSCKBWEIHNSR-UHFFFAOYSA-N
XLogP0.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.16
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N,2-dimethylpropan-1-amine?
The IUPAC name of 2-fluoro-N,2-dimethylpropan-1-amine (CID 72698936) is 2-fluoro-N,2-dimethylpropan-1-amine.
What is the SMILES notation for 2-fluoro-N,2-dimethylpropan-1-amine?
The canonical SMILES for 2-fluoro-N,2-dimethylpropan-1-amine is CNCC(C)(C)F.
What is the InChIKey of 2-fluoro-N,2-dimethylpropan-1-amine?
The InChIKey is PGSSCKBWEIHNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12FN/c1-5(2,6)4-7-3/h7H,4H2,1-3H3.
What are the key properties of 2-fluoro-N,2-dimethylpropan-1-amine?
2-fluoro-N,2-dimethylpropan-1-amine has a molecular weight of 105.16 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 72698936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).