1,3,3-trifluoro-2,2-dimethylpropan-1-amine

C5H10F3N — CID 175432380

IUPAC1,3,3-trifluoro-2,2-dimethylpropan-1-amine
SMILESCC(C)(C(N)F)C(F)F
InChIInChI=1S/C5H10F3N/c1-5(2,3(6)7)4(8)9/h3-4H,9H2,1-2H3
InChIKeyIHUUPLXYJLMBRD-UHFFFAOYSA-N
MW141.14 g/mol
LogP1.53
Rot. Bonds2

About 1,3,3-trifluoro-2,2-dimethylpropan-1-amine

1,3,3-trifluoro-2,2-dimethylpropan-1-amine (PubChem CID 175432380) has the molecular formula C5H10F3N and a molecular weight of 141.14 g/mol. Its IUPAC name is 1,3,3-trifluoro-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1,3,3-trifluoro-2,2-dimethylpropan-1-amine
PubChem CID175432380
Molecular FormulaC5H10F3N
Molecular Weight141.14 g/mol
Exact Mass141.08
IUPAC Name1,3,3-trifluoro-2,2-dimethylpropan-1-amine
SMILESCC(C)(C(N)F)C(F)F
InChIInChI=1S/C5H10F3N/c1-5(2,3(6)7)4(8)9/h3-4H,9H2,1-2H3
InChIKeyIHUUPLXYJLMBRD-UHFFFAOYSA-N
XLogP1.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.14
LogP ≤ 51.53
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 1,3,3-trifluoro-2,2-dimethylpropan-1-amine?
The IUPAC name of 1,3,3-trifluoro-2,2-dimethylpropan-1-amine (CID 175432380) is 1,3,3-trifluoro-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 1,3,3-trifluoro-2,2-dimethylpropan-1-amine?
The canonical SMILES for 1,3,3-trifluoro-2,2-dimethylpropan-1-amine is CC(C)(C(N)F)C(F)F.
What is the InChIKey of 1,3,3-trifluoro-2,2-dimethylpropan-1-amine?
The InChIKey is IHUUPLXYJLMBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3N/c1-5(2,3(6)7)4(8)9/h3-4H,9H2,1-2H3.
What are the key properties of 1,3,3-trifluoro-2,2-dimethylpropan-1-amine?
1,3,3-trifluoro-2,2-dimethylpropan-1-amine has a molecular weight of 141.14 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trifluoro-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 175432380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).