3,3,3-trifluoropropoxymethylbenzene

C10H11F3O — CID 141167342

IUPAC3,3,3-trifluoropropoxymethylbenzene
SMILESFC(F)(F)CCOCc1ccccc1
InChIInChI=1S/C10H11F3O/c11-10(12,13)6-7-14-8-9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKeyKIVBNVHZYYAUMI-UHFFFAOYSA-N
MW204.19 g/mol
LogP3.16
Rot. Bonds4

About 3,3,3-trifluoropropoxymethylbenzene

3,3,3-trifluoropropoxymethylbenzene (PubChem CID 141167342) has the molecular formula C10H11F3O and a molecular weight of 204.19 g/mol. Its IUPAC name is 3,3,3-trifluoropropoxymethylbenzene.

Molecular Properties

Compound Name3,3,3-trifluoropropoxymethylbenzene
PubChem CID141167342
Molecular FormulaC10H11F3O
Molecular Weight204.19 g/mol
Exact Mass204.08
IUPAC Name3,3,3-trifluoropropoxymethylbenzene
SMILESFC(F)(F)CCOCc1ccccc1
InChIInChI=1S/C10H11F3O/c11-10(12,13)6-7-14-8-9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKeyKIVBNVHZYYAUMI-UHFFFAOYSA-N
XLogP3.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoropropoxymethylbenzene?
The IUPAC name of 3,3,3-trifluoropropoxymethylbenzene (CID 141167342) is 3,3,3-trifluoropropoxymethylbenzene.
What is the SMILES notation for 3,3,3-trifluoropropoxymethylbenzene?
The canonical SMILES for 3,3,3-trifluoropropoxymethylbenzene is FC(F)(F)CCOCc1ccccc1.
What is the InChIKey of 3,3,3-trifluoropropoxymethylbenzene?
The InChIKey is KIVBNVHZYYAUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3O/c11-10(12,13)6-7-14-8-9-4-2-1-3-5-9/h1-5H,6-8H2.
What are the key properties of 3,3,3-trifluoropropoxymethylbenzene?
3,3,3-trifluoropropoxymethylbenzene has a molecular weight of 204.19 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoropropoxymethylbenzene is sourced from PubChem (CID 141167342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).