2-(4,4,4-trifluorobutoxymethyl)prop-2-en-1-amine

C8H14F3NO — CID 103075046

IUPAC2-(4,4,4-trifluorobutoxymethyl)prop-2-en-1-amine
SMILESC=C(CN)COCCCC(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-7(5-12)6-13-4-2-3-8(9,10)11/h1-6,12H2
InChIKeyWBTHWZYMWLEEBW-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.86
Rot. Bonds6

About 2-(4,4,4-trifluorobutoxymethyl)prop-2-en-1-amine

2-(4,4,4-trifluorobutoxymethyl)prop-2-en-1-amine (PubChem CID 103075046) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 2-(4,4,4-trifluorobutoxymethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name2-(4,4,4-trifluorobutoxymethyl)prop-2-en-1-amine
PubChem CID103075046
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name2-(4,4,4-trifluorobutoxymethyl)prop-2-en-1-amine
SMILESC=C(CN)COCCCC(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-7(5-12)6-13-4-2-3-8(9,10)11/h1-6,12H2
InChIKeyWBTHWZYMWLEEBW-UHFFFAOYSA-N
XLogP1.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4,4-trifluorobutoxymethyl)prop-2-en-1-amine?
The IUPAC name of 2-(4,4,4-trifluorobutoxymethyl)prop-2-en-1-amine (CID 103075046) is 2-(4,4,4-trifluorobutoxymethyl)prop-2-en-1-amine.
What is the SMILES notation for 2-(4,4,4-trifluorobutoxymethyl)prop-2-en-1-amine?
The canonical SMILES for 2-(4,4,4-trifluorobutoxymethyl)prop-2-en-1-amine is C=C(CN)COCCCC(F)(F)F.
What is the InChIKey of 2-(4,4,4-trifluorobutoxymethyl)prop-2-en-1-amine?
The InChIKey is WBTHWZYMWLEEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-7(5-12)6-13-4-2-3-8(9,10)11/h1-6,12H2.
What are the key properties of 2-(4,4,4-trifluorobutoxymethyl)prop-2-en-1-amine?
2-(4,4,4-trifluorobutoxymethyl)prop-2-en-1-amine has a molecular weight of 197.20 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4,4-trifluorobutoxymethyl)prop-2-en-1-amine is sourced from PubChem (CID 103075046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).