5-(3,3,3-trifluoropropoxy)pent-1-ene

C8H13F3O — CID 59366589

IUPAC5-(3,3,3-trifluoropropoxy)pent-1-ene
SMILESC=CCCCOCCC(F)(F)F
InChIInChI=1S/C8H13F3O/c1-2-3-4-6-12-7-5-8(9,10)11/h2H,1,3-7H2
InChIKeyNNVYHWGVPUFPRP-UHFFFAOYSA-N
MW182.18 g/mol
LogP2.92
Rot. Bonds6

About 5-(3,3,3-trifluoropropoxy)pent-1-ene

5-(3,3,3-trifluoropropoxy)pent-1-ene (PubChem CID 59366589) has the molecular formula C8H13F3O and a molecular weight of 182.18 g/mol. Its IUPAC name is 5-(3,3,3-trifluoropropoxy)pent-1-ene.

Molecular Properties

Compound Name5-(3,3,3-trifluoropropoxy)pent-1-ene
PubChem CID59366589
Molecular FormulaC8H13F3O
Molecular Weight182.18 g/mol
Exact Mass182.09
IUPAC Name5-(3,3,3-trifluoropropoxy)pent-1-ene
SMILESC=CCCCOCCC(F)(F)F
InChIInChI=1S/C8H13F3O/c1-2-3-4-6-12-7-5-8(9,10)11/h2H,1,3-7H2
InChIKeyNNVYHWGVPUFPRP-UHFFFAOYSA-N
XLogP2.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

CID 17897664
CID 17897664
CID 17897666
CID 17897666
CID 17897671
CID 17897671
CID 23466677
CID 23466677
CID 53849400
CID 53849400
CID 54033939
CID 54033939
CID 54050515
CID 54050515
CID 58219566
CID 58219566
CID 59366565
CID 59366565
CID 88543325
CID 88543325
CID 89310137
CID 89310137
CID 90690080
CID 90690080

Frequently Asked Questions

What is the IUPAC name of 5-(3,3,3-trifluoropropoxy)pent-1-ene?
The IUPAC name of 5-(3,3,3-trifluoropropoxy)pent-1-ene (CID 59366589) is 5-(3,3,3-trifluoropropoxy)pent-1-ene.
What is the SMILES notation for 5-(3,3,3-trifluoropropoxy)pent-1-ene?
The canonical SMILES for 5-(3,3,3-trifluoropropoxy)pent-1-ene is C=CCCCOCCC(F)(F)F.
What is the InChIKey of 5-(3,3,3-trifluoropropoxy)pent-1-ene?
The InChIKey is NNVYHWGVPUFPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3O/c1-2-3-4-6-12-7-5-8(9,10)11/h2H,1,3-7H2.
What are the key properties of 5-(3,3,3-trifluoropropoxy)pent-1-ene?
5-(3,3,3-trifluoropropoxy)pent-1-ene has a molecular weight of 182.18 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3,3-trifluoropropoxy)pent-1-ene is sourced from PubChem (CID 59366589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).