N,3-dimethyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-amine

C8H14F3NO — CID 103215733

IUPACN,3-dimethyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-amine
SMILESC=C(C)C(COCC(F)(F)F)NC
InChIInChI=1S/C8H14F3NO/c1-6(2)7(12-3)4-13-5-8(9,10)11/h7,12H,1,4-5H2,2-3H3
InChIKeyKALGCQPXCYNFJI-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.73
Rot. Bonds5

About N,3-dimethyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-amine

N,3-dimethyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-amine (PubChem CID 103215733) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is N,3-dimethyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-amine.

Molecular Properties

Compound NameN,3-dimethyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-amine
PubChem CID103215733
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC NameN,3-dimethyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-amine
SMILESC=C(C)C(COCC(F)(F)F)NC
InChIInChI=1S/C8H14F3NO/c1-6(2)7(12-3)4-13-5-8(9,10)11/h7,12H,1,4-5H2,2-3H3
InChIKeyKALGCQPXCYNFJI-UHFFFAOYSA-N
XLogP1.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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
N-methyl-1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine
CID 103214755
N-ethyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-amine
CID 103215661
N-methyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-amine
CID 103215666
N-propyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-amine
CID 103215667
N-ethyl-4-methyl-1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine
CID 103215713
N,4-dimethyl-1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine
CID 103215717
4-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine
CID 103215719
N-ethyl-4-methyl-1-(2,2,2-trifluoroethoxy)pent-3-en-2-amine
CID 103215720
N,4-dimethyl-1-(2,2,2-trifluoroethoxy)pent-3-en-2-amine
CID 103215725
4-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)pent-3-en-2-amine
CID 103215727

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-amine?
The IUPAC name of N,3-dimethyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-amine (CID 103215733) is N,3-dimethyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-amine.
What is the SMILES notation for N,3-dimethyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-amine?
The canonical SMILES for N,3-dimethyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-amine is C=C(C)C(COCC(F)(F)F)NC.
What is the InChIKey of N,3-dimethyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-amine?
The InChIKey is KALGCQPXCYNFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-6(2)7(12-3)4-13-5-8(9,10)11/h7,12H,1,4-5H2,2-3H3.
What are the key properties of N,3-dimethyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-amine?
N,3-dimethyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-amine has a molecular weight of 197.20 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-amine is sourced from PubChem (CID 103215733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).