3-(trifluoromethoxy)propylbenzene

C10H11F3O — CID 23242775

IUPAC3-(trifluoromethoxy)propylbenzene
SMILESFC(F)(F)OCCCc1ccccc1
InChIInChI=1S/C10H11F3O/c11-10(12,13)14-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
InChIKeyPCLBCJBFJNJWHS-UHFFFAOYSA-N
MW204.19 g/mol
LogP3.16
Rot. Bonds4

About 3-(trifluoromethoxy)propylbenzene

3-(trifluoromethoxy)propylbenzene (PubChem CID 23242775) has the molecular formula C10H11F3O and a molecular weight of 204.19 g/mol. Its IUPAC name is 3-(trifluoromethoxy)propylbenzene.

Molecular Properties

Compound Name3-(trifluoromethoxy)propylbenzene
PubChem CID23242775
Molecular FormulaC10H11F3O
Molecular Weight204.19 g/mol
Exact Mass204.08
IUPAC Name3-(trifluoromethoxy)propylbenzene
SMILESFC(F)(F)OCCCc1ccccc1
InChIInChI=1S/C10H11F3O/c11-10(12,13)14-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
InChIKeyPCLBCJBFJNJWHS-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-(trifluoromethoxy)propylbenzene?
The IUPAC name of 3-(trifluoromethoxy)propylbenzene (CID 23242775) is 3-(trifluoromethoxy)propylbenzene.
What is the SMILES notation for 3-(trifluoromethoxy)propylbenzene?
The canonical SMILES for 3-(trifluoromethoxy)propylbenzene is FC(F)(F)OCCCc1ccccc1.
What is the InChIKey of 3-(trifluoromethoxy)propylbenzene?
The InChIKey is PCLBCJBFJNJWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3O/c11-10(12,13)14-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2.
What are the key properties of 3-(trifluoromethoxy)propylbenzene?
3-(trifluoromethoxy)propylbenzene 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-(trifluoromethoxy)propylbenzene is sourced from PubChem (CID 23242775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).