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

C7H13F2NO — CID 103148870

IUPAC5-(2,2-difluoroethoxy)pent-1-en-3-amine
SMILESC=CC(N)CCOCC(F)F
InChIInChI=1S/C7H13F2NO/c1-2-6(10)3-4-11-5-7(8)9/h2,6-7H,1,3-5,10H2
InChIKeyLXOQLCADUBJPHB-UHFFFAOYSA-N
MW165.18 g/mol
LogP1.17
Rot. Bonds6

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

5-(2,2-difluoroethoxy)pent-1-en-3-amine (PubChem CID 103148870) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is 5-(2,2-difluoroethoxy)pent-1-en-3-amine.

Molecular Properties

Compound Name5-(2,2-difluoroethoxy)pent-1-en-3-amine
PubChem CID103148870
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC Name5-(2,2-difluoroethoxy)pent-1-en-3-amine
SMILESC=CC(N)CCOCC(F)F
InChIInChI=1S/C7H13F2NO/c1-2-6(10)3-4-11-5-7(8)9/h2,6-7H,1,3-5,10H2
InChIKeyLXOQLCADUBJPHB-UHFFFAOYSA-N
XLogP1.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.18
LogP ≤ 51.17
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
5-(2,2,2-Trifluoroethoxy)pent-1-en-3-amine
CID 103148009
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)-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-difluoroethoxy)pent-1-en-3-amine?
The IUPAC name of 5-(2,2-difluoroethoxy)pent-1-en-3-amine (CID 103148870) is 5-(2,2-difluoroethoxy)pent-1-en-3-amine.
What is the SMILES notation for 5-(2,2-difluoroethoxy)pent-1-en-3-amine?
The canonical SMILES for 5-(2,2-difluoroethoxy)pent-1-en-3-amine is C=CC(N)CCOCC(F)F.
What is the InChIKey of 5-(2,2-difluoroethoxy)pent-1-en-3-amine?
The InChIKey is LXOQLCADUBJPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO/c1-2-6(10)3-4-11-5-7(8)9/h2,6-7H,1,3-5,10H2.
What are the key properties of 5-(2,2-difluoroethoxy)pent-1-en-3-amine?
5-(2,2-difluoroethoxy)pent-1-en-3-amine has a molecular weight of 165.18 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoroethoxy)pent-1-en-3-amine is sourced from PubChem (CID 103148870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).