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

C5H12FN — CID 88688039

IUPAC1-fluoro-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)C(N)F
InChIInChI=1S/C5H12FN/c1-5(2,3)4(6)7/h4H,7H2,1-3H3
InChIKeyFTIUFTHMEKIFKN-UHFFFAOYSA-N
MW105.16 g/mol
LogP1.29
Rot. Bonds

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

1-fluoro-2,2-dimethylpropan-1-amine (PubChem CID 88688039) has the molecular formula C5H12FN and a molecular weight of 105.16 g/mol. Its IUPAC name is 1-fluoro-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-fluoro-2,2-dimethylpropan-1-amine
PubChem CID88688039
Molecular FormulaC5H12FN
Molecular Weight105.16 g/mol
Exact Mass105.10
IUPAC Name1-fluoro-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)C(N)F
InChIInChI=1S/C5H12FN/c1-5(2,3)4(6)7/h4H,7H2,1-3H3
InChIKeyFTIUFTHMEKIFKN-UHFFFAOYSA-N
XLogP1.29
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.16
LogP ≤ 51.29
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 1-fluoro-2,2-dimethylpropan-1-amine?
The IUPAC name of 1-fluoro-2,2-dimethylpropan-1-amine (CID 88688039) is 1-fluoro-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-fluoro-2,2-dimethylpropan-1-amine?
The canonical SMILES for 1-fluoro-2,2-dimethylpropan-1-amine is CC(C)(C)C(N)F.
What is the InChIKey of 1-fluoro-2,2-dimethylpropan-1-amine?
The InChIKey is FTIUFTHMEKIFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12FN/c1-5(2,3)4(6)7/h4H,7H2,1-3H3.
What are the key properties of 1-fluoro-2,2-dimethylpropan-1-amine?
1-fluoro-2,2-dimethylpropan-1-amine has a molecular weight of 105.16 g/mol, XLogP of 1.29, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 88688039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).