4,4,4-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]butan-1-amine

C10H18F3NO — CID 114467137

IUPAC4,4,4-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]butan-1-amine
SMILESC=C(C)COCCNCCCC(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-9(2)8-15-7-6-14-5-3-4-10(11,12)13/h14H,1,3-8H2,2H3
InChIKeyOKMYCBIMQBIVFE-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.51
Rot. Bonds8

About 4,4,4-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]butan-1-amine

4,4,4-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]butan-1-amine (PubChem CID 114467137) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]butan-1-amine
PubChem CID114467137
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name4,4,4-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]butan-1-amine
SMILESC=C(C)COCCNCCCC(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-9(2)8-15-7-6-14-5-3-4-10(11,12)13/h14H,1,3-8H2,2H3
InChIKeyOKMYCBIMQBIVFE-UHFFFAOYSA-N
XLogP2.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.51
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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Related Compounds

2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]prop-2-en-1-amine
CID 63828236
2-methylidene-N-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine
CID 66045709
1,1-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]propan-2-amine
CID 102870149
N-ethyl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine
CID 103074342
N-propyl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine
CID 103074346
N-propyl-2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine
CID 103074499
2-(2,2,3,3,3-pentafluoropropoxymethyl)-N-propylprop-2-en-1-amine
CID 103074933
2-(2,2-difluoroethoxymethyl)-N-ethylprop-2-en-1-amine
CID 103075025
2-(2,2-difluoroethoxymethyl)-N-propylprop-2-en-1-amine
CID 103075031
N-ethyl-2-(4,4,4-trifluorobutoxymethyl)prop-2-en-1-amine
CID 103075039
N-propyl-2-(4,4,4-trifluorobutoxymethyl)prop-2-en-1-amine
CID 103075045
N-ethyl-2-(3,3,3-trifluoropropoxymethyl)prop-2-en-1-amine
CID 103075053

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]butan-1-amine (CID 114467137) is 4,4,4-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]butan-1-amine is C=C(C)COCCNCCCC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]butan-1-amine?
The InChIKey is OKMYCBIMQBIVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-9(2)8-15-7-6-14-5-3-4-10(11,12)13/h14H,1,3-8H2,2H3.
What are the key properties of 4,4,4-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]butan-1-amine?
4,4,4-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]butan-1-amine has a molecular weight of 225.25 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]butan-1-amine is sourced from PubChem (CID 114467137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).