3-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pent-1-ene

C9H15F3O — CID 87159514

IUPAC3-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pent-1-ene
SMILESC=C(OC(C)C(F)(F)F)C(C)CC
InChIInChI=1S/C9H15F3O/c1-5-6(2)7(3)13-8(4)9(10,11)12/h6,8H,3,5H2,1-2,4H3
InChIKeyRDFZPGLOXRLQKP-UHFFFAOYSA-N
MW196.21 g/mol
LogP3.51
Rot. Bonds4

About 3-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pent-1-ene

3-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pent-1-ene (PubChem CID 87159514) has the molecular formula C9H15F3O and a molecular weight of 196.21 g/mol. Its IUPAC name is 3-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pent-1-ene.

Molecular Properties

Compound Name3-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pent-1-ene
PubChem CID87159514
Molecular FormulaC9H15F3O
Molecular Weight196.21 g/mol
Exact Mass196.11
IUPAC Name3-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pent-1-ene
SMILESC=C(OC(C)C(F)(F)F)C(C)CC
InChIInChI=1S/C9H15F3O/c1-5-6(2)7(3)13-8(4)9(10,11)12/h6,8H,3,5H2,1-2,4H3
InChIKeyRDFZPGLOXRLQKP-UHFFFAOYSA-N
XLogP3.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 53.51
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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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pent-1-ene?
The IUPAC name of 3-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pent-1-ene (CID 87159514) is 3-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pent-1-ene.
What is the SMILES notation for 3-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pent-1-ene?
The canonical SMILES for 3-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pent-1-ene is C=C(OC(C)C(F)(F)F)C(C)CC.
What is the InChIKey of 3-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pent-1-ene?
The InChIKey is RDFZPGLOXRLQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3O/c1-5-6(2)7(3)13-8(4)9(10,11)12/h6,8H,3,5H2,1-2,4H3.
What are the key properties of 3-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pent-1-ene?
3-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pent-1-ene has a molecular weight of 196.21 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pent-1-ene is sourced from PubChem (CID 87159514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).