1,1,1-trifluoropropan-2-yloxymethanamine

C4H8F3NO — CID 57032707

IUPAC1,1,1-trifluoropropan-2-yloxymethanamine
SMILESCC(OCN)C(F)(F)F
InChIInChI=1S/C4H8F3NO/c1-3(9-2-8)4(5,6)7/h3H,2,8H2,1H3
InChIKeyWWRMLMOMHCBHJC-UHFFFAOYSA-N
MW143.11 g/mol
LogP0.87
Rot. Bonds2

About 1,1,1-trifluoropropan-2-yloxymethanamine

1,1,1-trifluoropropan-2-yloxymethanamine (PubChem CID 57032707) has the molecular formula C4H8F3NO and a molecular weight of 143.11 g/mol. Its IUPAC name is 1,1,1-trifluoropropan-2-yloxymethanamine.

Molecular Properties

Compound Name1,1,1-trifluoropropan-2-yloxymethanamine
PubChem CID57032707
Molecular FormulaC4H8F3NO
Molecular Weight143.11 g/mol
Exact Mass143.06
IUPAC Name1,1,1-trifluoropropan-2-yloxymethanamine
SMILESCC(OCN)C(F)(F)F
InChIInChI=1S/C4H8F3NO/c1-3(9-2-8)4(5,6)7/h3H,2,8H2,1H3
InChIKeyWWRMLMOMHCBHJC-UHFFFAOYSA-N
XLogP0.87
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.11
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoropropan-2-yloxymethanamine?
The IUPAC name of 1,1,1-trifluoropropan-2-yloxymethanamine (CID 57032707) is 1,1,1-trifluoropropan-2-yloxymethanamine.
What is the SMILES notation for 1,1,1-trifluoropropan-2-yloxymethanamine?
The canonical SMILES for 1,1,1-trifluoropropan-2-yloxymethanamine is CC(OCN)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoropropan-2-yloxymethanamine?
The InChIKey is WWRMLMOMHCBHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F3NO/c1-3(9-2-8)4(5,6)7/h3H,2,8H2,1H3.
What are the key properties of 1,1,1-trifluoropropan-2-yloxymethanamine?
1,1,1-trifluoropropan-2-yloxymethanamine has a molecular weight of 143.11 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoropropan-2-yloxymethanamine is sourced from PubChem (CID 57032707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).