5,5,5-trifluoro-2-methoxypent-1-ene

C6H9F3O — CID 148908105

IUPAC5,5,5-trifluoro-2-methoxypent-1-ene
SMILESC=C(CCC(F)(F)F)OC
InChIInChI=1S/C6H9F3O/c1-5(10-2)3-4-6(7,8)9/h1,3-4H2,2H3
InChIKeyPIBXRNTUTWXUTF-UHFFFAOYSA-N
MW154.13 g/mol
LogP2.49
Rot. Bonds3

About 5,5,5-trifluoro-2-methoxypent-1-ene

5,5,5-trifluoro-2-methoxypent-1-ene (PubChem CID 148908105) has the molecular formula C6H9F3O and a molecular weight of 154.13 g/mol. Its IUPAC name is 5,5,5-trifluoro-2-methoxypent-1-ene.

Molecular Properties

Compound Name5,5,5-trifluoro-2-methoxypent-1-ene
PubChem CID148908105
Molecular FormulaC6H9F3O
Molecular Weight154.13 g/mol
Exact Mass154.06
IUPAC Name5,5,5-trifluoro-2-methoxypent-1-ene
SMILESC=C(CCC(F)(F)F)OC
InChIInChI=1S/C6H9F3O/c1-5(10-2)3-4-6(7,8)9/h1,3-4H2,2H3
InChIKeyPIBXRNTUTWXUTF-UHFFFAOYSA-N
XLogP2.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.13
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-Methoxy-1-pentene
CID 143007
3-Fluoro-2-methoxybut-1-ene
CID 88556329
3,3-Difluoro-2-methoxybut-1-ene
CID 89018192
2-(Trifluoromethoxy)but-1-ene
CID 90210903
2-(Difluoromethoxy)but-1-ene
CID 122541919
5-Fluoro-2-methoxypent-1-ene
CID 122541942
2-(Difluoromethoxy)pent-1-ene
CID 123931910
3,3,5-Trifluoro-2-methoxyhexa-1,5-diene
CID 132153170
4,4,4-Trifluoro-2-prop-1-en-2-yloxybut-1-ene
CID 139572330
2-(Chloromethoxy)-3,3,4-trifluoropent-1-ene
CID 140821807
3,3-Difluoro-2-methoxybut-1-ene;ethene
CID 143721683
4,4-Difluoro-3-methoxypenta-1,2-diene
CID 143721724

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-2-methoxypent-1-ene?
The IUPAC name of 5,5,5-trifluoro-2-methoxypent-1-ene (CID 148908105) is 5,5,5-trifluoro-2-methoxypent-1-ene.
What is the SMILES notation for 5,5,5-trifluoro-2-methoxypent-1-ene?
The canonical SMILES for 5,5,5-trifluoro-2-methoxypent-1-ene is C=C(CCC(F)(F)F)OC.
What is the InChIKey of 5,5,5-trifluoro-2-methoxypent-1-ene?
The InChIKey is PIBXRNTUTWXUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3O/c1-5(10-2)3-4-6(7,8)9/h1,3-4H2,2H3.
What are the key properties of 5,5,5-trifluoro-2-methoxypent-1-ene?
5,5,5-trifluoro-2-methoxypent-1-ene has a molecular weight of 154.13 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-2-methoxypent-1-ene is sourced from PubChem (CID 148908105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).