3,3,3-trifluoroprop-1-en-2-yloxymethylbenzene

C10H9F3O — CID 102130486

IUPAC3,3,3-trifluoroprop-1-en-2-yloxymethylbenzene
SMILESC=C(OCc1ccccc1)C(F)(F)F
InChIInChI=1S/C10H9F3O/c1-8(10(11,12)13)14-7-9-5-3-2-4-6-9/h2-6H,1,7H2
InChIKeyCWUOPRWCXBJMJL-UHFFFAOYSA-N
MW202.17 g/mol
LogP3.28
Rot. Bonds3

About 3,3,3-trifluoroprop-1-en-2-yloxymethylbenzene

3,3,3-trifluoroprop-1-en-2-yloxymethylbenzene (PubChem CID 102130486) has the molecular formula C10H9F3O and a molecular weight of 202.17 g/mol. Its IUPAC name is 3,3,3-trifluoroprop-1-en-2-yloxymethylbenzene.

Molecular Properties

Compound Name3,3,3-trifluoroprop-1-en-2-yloxymethylbenzene
PubChem CID102130486
Molecular FormulaC10H9F3O
Molecular Weight202.17 g/mol
Exact Mass202.06
IUPAC Name3,3,3-trifluoroprop-1-en-2-yloxymethylbenzene
SMILESC=C(OCc1ccccc1)C(F)(F)F
InChIInChI=1S/C10H9F3O/c1-8(10(11,12)13)14-7-9-5-3-2-4-6-9/h2-6H,1,7H2
InChIKeyCWUOPRWCXBJMJL-UHFFFAOYSA-N
XLogP3.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.17
LogP ≤ 53.28
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

Styrene Oxide
CID 7276
Dibenzyl ether
CID 7657
(S)-styrene oxide
CID 114946
Benzyl ethyl ether
CID 10873
Benzyl butyl ether
CID 61134
Benzyl methyl ether
CID 10869
(+)-Styrene oxide
CID 114705
Benzyl octyl ether
CID 347508
Allyl benzyl ether
CID 84542
Benzene, (1-ethoxyethyl)-
CID 18693
Isoamyl benzyl ether
CID 31227
1,4-Bis(Methoxymethyl)Benzene
CID 81239

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoroprop-1-en-2-yloxymethylbenzene?
The IUPAC name of 3,3,3-trifluoroprop-1-en-2-yloxymethylbenzene (CID 102130486) is 3,3,3-trifluoroprop-1-en-2-yloxymethylbenzene.
What is the SMILES notation for 3,3,3-trifluoroprop-1-en-2-yloxymethylbenzene?
The canonical SMILES for 3,3,3-trifluoroprop-1-en-2-yloxymethylbenzene is C=C(OCc1ccccc1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoroprop-1-en-2-yloxymethylbenzene?
The InChIKey is CWUOPRWCXBJMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O/c1-8(10(11,12)13)14-7-9-5-3-2-4-6-9/h2-6H,1,7H2.
What are the key properties of 3,3,3-trifluoroprop-1-en-2-yloxymethylbenzene?
3,3,3-trifluoroprop-1-en-2-yloxymethylbenzene has a molecular weight of 202.17 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoroprop-1-en-2-yloxymethylbenzene is sourced from PubChem (CID 102130486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).