1,3,3-trifluoro-2-methylpropan-1-amine

C4H8F3N — CID 90319095

IUPAC1,3,3-trifluoro-2-methylpropan-1-amine
SMILESCC(C(N)F)C(F)F
InChIInChI=1S/C4H8F3N/c1-2(3(5)6)4(7)8/h2-4H,8H2,1H3
InChIKeyXQEZRVOKNPRXQM-UHFFFAOYSA-N
MW127.11 g/mol
LogP1.14
Rot. Bonds2

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

1,3,3-trifluoro-2-methylpropan-1-amine (PubChem CID 90319095) has the molecular formula C4H8F3N and a molecular weight of 127.11 g/mol. Its IUPAC name is 1,3,3-trifluoro-2-methylpropan-1-amine.

Molecular Properties

Compound Name1,3,3-trifluoro-2-methylpropan-1-amine
PubChem CID90319095
Molecular FormulaC4H8F3N
Molecular Weight127.11 g/mol
Exact Mass127.06
IUPAC Name1,3,3-trifluoro-2-methylpropan-1-amine
SMILESCC(C(N)F)C(F)F
InChIInChI=1S/C4H8F3N/c1-2(3(5)6)4(7)8/h2-4H,8H2,1H3
InChIKeyXQEZRVOKNPRXQM-UHFFFAOYSA-N
XLogP1.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.11
LogP ≤ 51.14
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-methylpropan-1-amine?
The IUPAC name of 1,3,3-trifluoro-2-methylpropan-1-amine (CID 90319095) is 1,3,3-trifluoro-2-methylpropan-1-amine.
What is the SMILES notation for 1,3,3-trifluoro-2-methylpropan-1-amine?
The canonical SMILES for 1,3,3-trifluoro-2-methylpropan-1-amine is CC(C(N)F)C(F)F.
What is the InChIKey of 1,3,3-trifluoro-2-methylpropan-1-amine?
The InChIKey is XQEZRVOKNPRXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F3N/c1-2(3(5)6)4(7)8/h2-4H,8H2,1H3.
What are the key properties of 1,3,3-trifluoro-2-methylpropan-1-amine?
1,3,3-trifluoro-2-methylpropan-1-amine has a molecular weight of 127.11 g/mol, XLogP of 1.14, 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-methylpropan-1-amine is sourced from PubChem (CID 90319095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).