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

C9H16F3NO — CID 103215725

IUPACN,4-dimethyl-1-(2,2,2-trifluoroethoxy)pent-3-en-2-amine
SMILESCNC(C=C(C)C)COCC(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-7(2)4-8(13-3)5-14-6-9(10,11)12/h4,8,13H,5-6H2,1-3H3
InChIKeyJMSSKPYVLBSOOB-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.12
Rot. Bonds5

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

N,4-dimethyl-1-(2,2,2-trifluoroethoxy)pent-3-en-2-amine (PubChem CID 103215725) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is N,4-dimethyl-1-(2,2,2-trifluoroethoxy)pent-3-en-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-1-(2,2,2-trifluoroethoxy)pent-3-en-2-amine
PubChem CID103215725
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC NameN,4-dimethyl-1-(2,2,2-trifluoroethoxy)pent-3-en-2-amine
SMILESCNC(C=C(C)C)COCC(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-7(2)4-8(13-3)5-14-6-9(10,11)12/h4,8,13H,5-6H2,1-3H3
InChIKeyJMSSKPYVLBSOOB-UHFFFAOYSA-N
XLogP2.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

5,5,5-trifluoro-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine
CID 79607147
(Z)-5,5-difluoro-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine
CID 80605900
1-(2,3-dihydrofuran-5-yl)-N-ethyl-2,2,2-trifluoroethanamine
CID 102653508
N,5-dimethyl-1-(2,2,2-trifluoroethoxy)hex-4-en-3-amine
CID 103148352
1-(2,2-difluoroethoxy)-N,5-dimethylhex-4-en-3-amine
CID 103149298
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-3-en-2-amine
CID 103215720
4-Methyl-1-(2,2,2-trifluoroethoxy)pent-3-en-2-amine
CID 103215721
4-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)pent-3-en-2-amine
CID 103215727
N-ethyl-3-methyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-amine
CID 103215728

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-1-(2,2,2-trifluoroethoxy)pent-3-en-2-amine?
The IUPAC name of N,4-dimethyl-1-(2,2,2-trifluoroethoxy)pent-3-en-2-amine (CID 103215725) is N,4-dimethyl-1-(2,2,2-trifluoroethoxy)pent-3-en-2-amine.
What is the SMILES notation for N,4-dimethyl-1-(2,2,2-trifluoroethoxy)pent-3-en-2-amine?
The canonical SMILES for N,4-dimethyl-1-(2,2,2-trifluoroethoxy)pent-3-en-2-amine is CNC(C=C(C)C)COCC(F)(F)F.
What is the InChIKey of N,4-dimethyl-1-(2,2,2-trifluoroethoxy)pent-3-en-2-amine?
The InChIKey is JMSSKPYVLBSOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-7(2)4-8(13-3)5-14-6-9(10,11)12/h4,8,13H,5-6H2,1-3H3.
What are the key properties of N,4-dimethyl-1-(2,2,2-trifluoroethoxy)pent-3-en-2-amine?
N,4-dimethyl-1-(2,2,2-trifluoroethoxy)pent-3-en-2-amine has a molecular weight of 211.23 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-1-(2,2,2-trifluoroethoxy)pent-3-en-2-amine is sourced from PubChem (CID 103215725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).