2-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]furan

C14H13F3O2 — CID 168525152

IUPAC2-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]furan
SMILESCC(C)Oc1ccc(-c2ccco2)cc1C(F)(F)F
InChIInChI=1S/C14H13F3O2/c1-9(2)19-13-6-5-10(12-4-3-7-18-12)8-11(13)14(15,16)17/h3-9H,1-2H3
InChIKeyXNLMSCWMJTXBRG-UHFFFAOYSA-N
MW270.25 g/mol
LogP4.75
Rot. Bonds3

About 2-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]furan

2-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]furan (PubChem CID 168525152) has the molecular formula C14H13F3O2 and a molecular weight of 270.25 g/mol. Its IUPAC name is 2-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]furan.

Molecular Properties

Compound Name2-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]furan
PubChem CID168525152
Molecular FormulaC14H13F3O2
Molecular Weight270.25 g/mol
Exact Mass270.09
IUPAC Name2-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]furan
SMILESCC(C)Oc1ccc(-c2ccco2)cc1C(F)(F)F
InChIInChI=1S/C14H13F3O2/c1-9(2)19-13-6-5-10(12-4-3-7-18-12)8-11(13)14(15,16)17/h3-9H,1-2H3
InChIKeyXNLMSCWMJTXBRG-UHFFFAOYSA-N
XLogP4.75
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]furan?
The IUPAC name of 2-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]furan (CID 168525152) is 2-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]furan.
What is the SMILES notation for 2-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]furan?
The canonical SMILES for 2-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]furan is CC(C)Oc1ccc(-c2ccco2)cc1C(F)(F)F.
What is the InChIKey of 2-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]furan?
The InChIKey is XNLMSCWMJTXBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3O2/c1-9(2)19-13-6-5-10(12-4-3-7-18-12)8-11(13)14(15,16)17/h3-9H,1-2H3.
What are the key properties of 2-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]furan?
2-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]furan has a molecular weight of 270.25 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]furan is sourced from PubChem (CID 168525152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).