2-methyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-amine

C8H14F3NO — CID 103148016

IUPAC2-methyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-amine
SMILESC=C(C)C(N)CCOCC(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-6(2)7(12)3-4-13-5-8(9,10)11/h7H,1,3-5,12H2,2H3
InChIKeyYDFPEXCKDFGIKB-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.86
Rot. Bonds5

About 2-methyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-amine

2-methyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-amine (PubChem CID 103148016) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 2-methyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-amine.

Molecular Properties

Compound Name2-methyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-amine
PubChem CID103148016
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name2-methyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-amine
SMILESC=C(C)C(N)CCOCC(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-6(2)7(12)3-4-13-5-8(9,10)11/h7H,1,3-5,12H2,2H3
InChIKeyYDFPEXCKDFGIKB-UHFFFAOYSA-N
XLogP1.86
TPSA35.25 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 ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-Methyl-1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine
CID 103147962
1-(2,2,2-Trifluoroethoxy)hex-5-en-3-amine
CID 103147964
5-Methyl-1-(2,2,2-trifluoroethoxy)hex-4-en-3-amine
CID 103148083
N,2-dimethyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-amine
CID 103148287
N-ethyl-2-methyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-amine
CID 103148523
2-methyl-N-propyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-amine
CID 103148695
1-(2,2-Difluoroethoxy)-5-methylhex-5-en-3-amine
CID 103148814
1-(2,2-Difluoroethoxy)hex-5-en-3-amine
CID 103148817
5-(2,2-Difluoroethoxy)-2-methylpent-1-en-3-amine
CID 103148886
1-(2,2-Difluoroethoxy)-5-methylhex-4-en-3-amine
CID 103148966
5-(2,2-difluoroethoxy)-N,2-dimethylpent-1-en-3-amine
CID 103149222
5-(2,2-difluoroethoxy)-N-ethyl-2-methylpent-1-en-3-amine
CID 103149558

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-amine?
The IUPAC name of 2-methyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-amine (CID 103148016) is 2-methyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-amine.
What is the SMILES notation for 2-methyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-amine?
The canonical SMILES for 2-methyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-amine is C=C(C)C(N)CCOCC(F)(F)F.
What is the InChIKey of 2-methyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-amine?
The InChIKey is YDFPEXCKDFGIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-6(2)7(12)3-4-13-5-8(9,10)11/h7H,1,3-5,12H2,2H3.
What are the key properties of 2-methyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-amine?
2-methyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-amine has a molecular weight of 197.20 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-amine is sourced from PubChem (CID 103148016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).