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

C9H16F3NO — CID 103214750

IUPACN-ethyl-1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine
SMILESC=CCC(COCC(F)(F)F)NCC
InChIInChI=1S/C9H16F3NO/c1-3-5-8(13-4-2)6-14-7-9(10,11)12/h3,8,13H,1,4-7H2,2H3
InChIKeyGMTGLPWDHQDMFI-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.12
Rot. Bonds7

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

N-ethyl-1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine (PubChem CID 103214750) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is N-ethyl-1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine
PubChem CID103214750
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC NameN-ethyl-1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine
SMILESC=CCC(COCC(F)(F)F)NCC
InChIInChI=1S/C9H16F3NO/c1-3-5-8(13-4-2)6-14-7-9(10,11)12/h3,8,13H,1,4-7H2,2H3
InChIKeyGMTGLPWDHQDMFI-UHFFFAOYSA-N
XLogP2.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 52.12
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-but-3-enoxy-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62599036
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
7,7,7-trifluoro-N-(2-methoxyethyl)hept-3-en-1-amine
CID 79599700
N-prop-2-enyl-2-(4,4,4-trifluorobutoxy)propan-1-amine
CID 82793237
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

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine?
The IUPAC name of N-ethyl-1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine (CID 103214750) is N-ethyl-1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine.
What is the SMILES notation for N-ethyl-1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine?
The canonical SMILES for N-ethyl-1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine is C=CCC(COCC(F)(F)F)NCC.
What is the InChIKey of N-ethyl-1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine?
The InChIKey is GMTGLPWDHQDMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-3-5-8(13-4-2)6-14-7-9(10,11)12/h3,8,13H,1,4-7H2,2H3.
What are the key properties of N-ethyl-1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine?
N-ethyl-1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine has a molecular weight of 211.23 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine is sourced from PubChem (CID 103214750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).