N-ethyl-4-methyl-1-(2,2,2-trifluoroethoxy)pent-3-en-2-amine

C10H18F3NO — CID 103215720

IUPACN-ethyl-4-methyl-1-(2,2,2-trifluoroethoxy)pent-3-en-2-amine
SMILESCCNC(C=C(C)C)COCC(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-4-14-9(5-8(2)3)6-15-7-10(11,12)13/h5,9,14H,4,6-7H2,1-3H3
InChIKeyMSRDFBMJHMWCED-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.51
Rot. Bonds6

About N-ethyl-4-methyl-1-(2,2,2-trifluoroethoxy)pent-3-en-2-amine

N-ethyl-4-methyl-1-(2,2,2-trifluoroethoxy)pent-3-en-2-amine (PubChem CID 103215720) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is N-ethyl-4-methyl-1-(2,2,2-trifluoroethoxy)pent-3-en-2-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-1-(2,2,2-trifluoroethoxy)pent-3-en-2-amine
PubChem CID103215720
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC NameN-ethyl-4-methyl-1-(2,2,2-trifluoroethoxy)pent-3-en-2-amine
SMILESCCNC(C=C(C)C)COCC(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-4-14-9(5-8(2)3)6-15-7-10(11,12)13/h5,9,14H,4,6-7H2,1-3H3
InChIKeyMSRDFBMJHMWCED-UHFFFAOYSA-N
XLogP2.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-1-(2,2,2-trifluoroethoxy)pent-3-en-2-amine?
The IUPAC name of N-ethyl-4-methyl-1-(2,2,2-trifluoroethoxy)pent-3-en-2-amine (CID 103215720) is N-ethyl-4-methyl-1-(2,2,2-trifluoroethoxy)pent-3-en-2-amine.
What is the SMILES notation for N-ethyl-4-methyl-1-(2,2,2-trifluoroethoxy)pent-3-en-2-amine?
The canonical SMILES for N-ethyl-4-methyl-1-(2,2,2-trifluoroethoxy)pent-3-en-2-amine is CCNC(C=C(C)C)COCC(F)(F)F.
What is the InChIKey of N-ethyl-4-methyl-1-(2,2,2-trifluoroethoxy)pent-3-en-2-amine?
The InChIKey is MSRDFBMJHMWCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-4-14-9(5-8(2)3)6-15-7-10(11,12)13/h5,9,14H,4,6-7H2,1-3H3.
What are the key properties of N-ethyl-4-methyl-1-(2,2,2-trifluoroethoxy)pent-3-en-2-amine?
N-ethyl-4-methyl-1-(2,2,2-trifluoroethoxy)pent-3-en-2-amine has a molecular weight of 225.25 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-1-(2,2,2-trifluoroethoxy)pent-3-en-2-amine is sourced from PubChem (CID 103215720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).