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

C7H12F3NO — CID 103148009

IUPAC5-(2,2,2-trifluoroethoxy)pent-1-en-3-amine
SMILESC=CC(N)CCOCC(F)(F)F
InChIInChI=1S/C7H12F3NO/c1-2-6(11)3-4-12-5-7(8,9)10/h2,6H,1,3-5,11H2
InChIKeyCNMWILHEWQJAKV-UHFFFAOYSA-N
MW183.17 g/mol
LogP1.47
Rot. Bonds5

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

5-(2,2,2-trifluoroethoxy)pent-1-en-3-amine (PubChem CID 103148009) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is 5-(2,2,2-trifluoroethoxy)pent-1-en-3-amine.

Molecular Properties

Compound Name5-(2,2,2-trifluoroethoxy)pent-1-en-3-amine
PubChem CID103148009
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name5-(2,2,2-trifluoroethoxy)pent-1-en-3-amine
SMILESC=CC(N)CCOCC(F)(F)F
InChIInChI=1S/C7H12F3NO/c1-2-6(11)3-4-12-5-7(8,9)10/h2,6H,1,3-5,11H2
InChIKeyCNMWILHEWQJAKV-UHFFFAOYSA-N
XLogP1.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.47
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

1-(2,2,2-Trifluoroethoxy)hex-5-en-3-amine
CID 103147964
N-methyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-amine
CID 103148280
1-(2,2-Difluoroethoxy)hex-5-en-3-amine
CID 103148817
5-(2,2-Difluoroethoxy)pent-1-en-3-amine
CID 103148870
5-(2,2-difluoroethoxy)-N-methylpent-1-en-3-amine
CID 103149207
5-(2,2,2-Trifluoroethoxy)pent-1-en-3-ylhydrazine
CID 103151489
5-(2,2-Difluoroethoxy)pent-1-en-3-ylhydrazine
CID 103151808
1-(2,2,2-Trifluoroethoxy)pent-4-en-2-amine
CID 103214751
1-(2,2,2-Trifluoroethoxy)but-3-en-2-amine
CID 103215662
1-(2,2,3,3-Tetrafluoropropoxy)pent-4-en-2-amine
CID 103474725
(3R)-3-amino-2,2-difluoropent-4-en-1-ol
CID 130610318
2,2-Difluoro-3-(pent-4-en-1-yloxy)propan-1-amine
CID 165466390

Frequently Asked Questions

What is the IUPAC name of 5-(2,2,2-trifluoroethoxy)pent-1-en-3-amine?
The IUPAC name of 5-(2,2,2-trifluoroethoxy)pent-1-en-3-amine (CID 103148009) is 5-(2,2,2-trifluoroethoxy)pent-1-en-3-amine.
What is the SMILES notation for 5-(2,2,2-trifluoroethoxy)pent-1-en-3-amine?
The canonical SMILES for 5-(2,2,2-trifluoroethoxy)pent-1-en-3-amine is C=CC(N)CCOCC(F)(F)F.
What is the InChIKey of 5-(2,2,2-trifluoroethoxy)pent-1-en-3-amine?
The InChIKey is CNMWILHEWQJAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO/c1-2-6(11)3-4-12-5-7(8,9)10/h2,6H,1,3-5,11H2.
What are the key properties of 5-(2,2,2-trifluoroethoxy)pent-1-en-3-amine?
5-(2,2,2-trifluoroethoxy)pent-1-en-3-amine has a molecular weight of 183.17 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,2-trifluoroethoxy)pent-1-en-3-amine is sourced from PubChem (CID 103148009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).