N-ethyl-3,3,3-trifluoropropan-1-imine

C5H8F3N — CID 14066877

IUPACN-ethyl-3,3,3-trifluoropropan-1-imine
SMILESCC/N=C/CC(F)(F)F
InChIInChI=1S/C5H8F3N/c1-2-9-4-3-5(6,7)8/h4H,2-3H2,1H3/b9-4+
InChIKeyGXIJYHMJBFBOFJ-RUDMXATFSA-N
MW139.12 g/mol
LogP2.03
Rot. Bonds2

About N-ethyl-3,3,3-trifluoropropan-1-imine

N-ethyl-3,3,3-trifluoropropan-1-imine (PubChem CID 14066877) has the molecular formula C5H8F3N and a molecular weight of 139.12 g/mol. Its IUPAC name is N-ethyl-3,3,3-trifluoropropan-1-imine.

Molecular Properties

Compound NameN-ethyl-3,3,3-trifluoropropan-1-imine
PubChem CID14066877
Molecular FormulaC5H8F3N
Molecular Weight139.12 g/mol
Exact Mass139.06
IUPAC NameN-ethyl-3,3,3-trifluoropropan-1-imine
SMILESCC/N=C/CC(F)(F)F
InChIInChI=1S/C5H8F3N/c1-2-9-4-3-5(6,7)8/h4H,2-3H2,1H3/b9-4+
InChIKeyGXIJYHMJBFBOFJ-RUDMXATFSA-N
XLogP2.03
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.12
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,3,3-trifluoropropan-1-imine?
The IUPAC name of N-ethyl-3,3,3-trifluoropropan-1-imine (CID 14066877) is N-ethyl-3,3,3-trifluoropropan-1-imine.
What is the SMILES notation for N-ethyl-3,3,3-trifluoropropan-1-imine?
The canonical SMILES for N-ethyl-3,3,3-trifluoropropan-1-imine is CC/N=C/CC(F)(F)F.
What is the InChIKey of N-ethyl-3,3,3-trifluoropropan-1-imine?
The InChIKey is GXIJYHMJBFBOFJ-RUDMXATFSA-N. The full InChI is InChI=1S/C5H8F3N/c1-2-9-4-3-5(6,7)8/h4H,2-3H2,1H3/b9-4+.
What are the key properties of N-ethyl-3,3,3-trifluoropropan-1-imine?
N-ethyl-3,3,3-trifluoropropan-1-imine has a molecular weight of 139.12 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,3,3-trifluoropropan-1-imine is sourced from PubChem (CID 14066877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).