1-(2,2,3,3-tetrafluoropropoxy)pent-4-en-2-amine

C8H13F4NO — CID 103474725

IUPAC1-(2,2,3,3-tetrafluoropropoxy)pent-4-en-2-amine
SMILESC=CCC(N)COCC(F)(F)C(F)F
InChIInChI=1S/C8H13F4NO/c1-2-3-6(13)4-14-5-8(11,12)7(9)10/h2,6-7H,1,3-5,13H2
InChIKeyCDYHXPQNXSMJFN-UHFFFAOYSA-N
MW215.19 g/mol
LogP1.81
Rot. Bonds7

About 1-(2,2,3,3-tetrafluoropropoxy)pent-4-en-2-amine

1-(2,2,3,3-tetrafluoropropoxy)pent-4-en-2-amine (PubChem CID 103474725) has the molecular formula C8H13F4NO and a molecular weight of 215.19 g/mol. Its IUPAC name is 1-(2,2,3,3-tetrafluoropropoxy)pent-4-en-2-amine.

Molecular Properties

Compound Name1-(2,2,3,3-tetrafluoropropoxy)pent-4-en-2-amine
PubChem CID103474725
Molecular FormulaC8H13F4NO
Molecular Weight215.19 g/mol
Exact Mass215.09
IUPAC Name1-(2,2,3,3-tetrafluoropropoxy)pent-4-en-2-amine
SMILESC=CCC(N)COCC(F)(F)C(F)F
InChIInChI=1S/C8H13F4NO/c1-2-3-6(13)4-14-5-8(11,12)7(9)10/h2,6-7H,1,3-5,13H2
InChIKeyCDYHXPQNXSMJFN-UHFFFAOYSA-N
XLogP1.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.19
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', '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
1-(2,2-Difluoroethoxy)hex-5-en-3-amine
CID 103148817
5-(2,2-Difluoroethoxy)pent-1-en-3-amine
CID 103148870
1-(2,2,2-Trifluoroethoxy)pent-4-en-2-amine
CID 103214751
N-methyl-1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine
CID 103214755
1-(2,2,2-Trifluoroethoxy)hex-5-en-2-amine
CID 103215440
1-(2,2,2-Trifluoroethoxy)but-3-en-2-amine
CID 103215662
1-(2,2,3,3-Tetrafluoropropoxy)but-3-en-2-amine
CID 103474862
1-(2,2,3,3-Tetrafluoropropoxy)hept-6-en-2-amine
CID 103475161
1-(2,2,3,3-Tetrafluoropropoxy)hex-5-en-2-amine
CID 103475200
N-methyl-1-(2,2,3,3-tetrafluoropropoxy)pent-4-en-2-amine
CID 103475292

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,3,3-tetrafluoropropoxy)pent-4-en-2-amine?
The IUPAC name of 1-(2,2,3,3-tetrafluoropropoxy)pent-4-en-2-amine (CID 103474725) is 1-(2,2,3,3-tetrafluoropropoxy)pent-4-en-2-amine.
What is the SMILES notation for 1-(2,2,3,3-tetrafluoropropoxy)pent-4-en-2-amine?
The canonical SMILES for 1-(2,2,3,3-tetrafluoropropoxy)pent-4-en-2-amine is C=CCC(N)COCC(F)(F)C(F)F.
What is the InChIKey of 1-(2,2,3,3-tetrafluoropropoxy)pent-4-en-2-amine?
The InChIKey is CDYHXPQNXSMJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F4NO/c1-2-3-6(13)4-14-5-8(11,12)7(9)10/h2,6-7H,1,3-5,13H2.
What are the key properties of 1-(2,2,3,3-tetrafluoropropoxy)pent-4-en-2-amine?
1-(2,2,3,3-tetrafluoropropoxy)pent-4-en-2-amine has a molecular weight of 215.19 g/mol, XLogP of 1.81, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,3,3-tetrafluoropropoxy)pent-4-en-2-amine is sourced from PubChem (CID 103474725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).