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

C8H14F3NO — CID 103214755

IUPACN-methyl-1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine
SMILESC=CCC(COCC(F)(F)F)NC
InChIInChI=1S/C8H14F3NO/c1-3-4-7(12-2)5-13-6-8(9,10)11/h3,7,12H,1,4-6H2,2H3
InChIKeyCPFYRGBDJJGMJW-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.73
Rot. Bonds6

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

N-methyl-1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine (PubChem CID 103214755) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is N-methyl-1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine.

Molecular Properties

Compound NameN-methyl-1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine
PubChem CID103214755
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC NameN-methyl-1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine
SMILESC=CCC(COCC(F)(F)F)NC
InChIInChI=1S/C8H14F3NO/c1-3-4-7(12-2)5-13-6-8(9,10)11/h3,7,12H,1,4-6H2,2H3
InChIKeyCPFYRGBDJJGMJW-UHFFFAOYSA-N
XLogP1.73
TPSA21.26 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 ≤ 51.73
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

N-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine
CID 64314222
N-[2-(2,2,2-trifluoroethoxy)ethyl]pent-4-en-1-amine
CID 64314223
2-pent-4-enoxy-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 79113167
2,2,2-trifluoro-N-(2-pent-4-enoxyethyl)ethanamine
CID 79114123
N-[2-(2,2-difluoroethoxy)ethyl]hex-5-en-2-amine
CID 103082750
N-methyl-1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine
CID 103148240
N-methyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-amine
CID 103148280
N-ethyl-1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine
CID 103148486
N-ethyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-amine
CID 103148517
N-propyl-1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine
CID 103148669
N-propyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-amine
CID 103148691
1-(2,2-difluoroethoxy)-N-methylhex-5-en-3-amine
CID 103149152

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine?
The IUPAC name of N-methyl-1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine (CID 103214755) is N-methyl-1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine.
What is the SMILES notation for N-methyl-1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine?
The canonical SMILES for N-methyl-1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine is C=CCC(COCC(F)(F)F)NC.
What is the InChIKey of N-methyl-1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine?
The InChIKey is CPFYRGBDJJGMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-3-4-7(12-2)5-13-6-8(9,10)11/h3,7,12H,1,4-6H2,2H3.
What are the key properties of N-methyl-1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine?
N-methyl-1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine has a molecular weight of 197.20 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine is sourced from PubChem (CID 103214755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).