2-[3-(cyclopropylmethoxy)-5-(trifluoromethyl)phenyl]furan

C15H13F3O2 — CID 168528181

IUPAC2-[3-(cyclopropylmethoxy)-5-(trifluoromethyl)phenyl]furan
SMILESFC(F)(F)c1cc(OCC2CC2)cc(-c2ccco2)c1
InChIInChI=1S/C15H13F3O2/c16-15(17,18)12-6-11(14-2-1-5-19-14)7-13(8-12)20-9-10-3-4-10/h1-2,5-8,10H,3-4,9H2
InChIKeyFKFHLQBKWUBIPH-UHFFFAOYSA-N
MW282.26 g/mol
LogP4.75
Rot. Bonds4

About 2-[3-(cyclopropylmethoxy)-5-(trifluoromethyl)phenyl]furan

2-[3-(cyclopropylmethoxy)-5-(trifluoromethyl)phenyl]furan (PubChem CID 168528181) has the molecular formula C15H13F3O2 and a molecular weight of 282.26 g/mol. Its IUPAC name is 2-[3-(cyclopropylmethoxy)-5-(trifluoromethyl)phenyl]furan.

Molecular Properties

Compound Name2-[3-(cyclopropylmethoxy)-5-(trifluoromethyl)phenyl]furan
PubChem CID168528181
Molecular FormulaC15H13F3O2
Molecular Weight282.26 g/mol
Exact Mass282.09
IUPAC Name2-[3-(cyclopropylmethoxy)-5-(trifluoromethyl)phenyl]furan
SMILESFC(F)(F)c1cc(OCC2CC2)cc(-c2ccco2)c1
InChIInChI=1S/C15H13F3O2/c16-15(17,18)12-6-11(14-2-1-5-19-14)7-13(8-12)20-9-10-3-4-10/h1-2,5-8,10H,3-4,9H2
InChIKeyFKFHLQBKWUBIPH-UHFFFAOYSA-N
XLogP4.75
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
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-[3-(cyclopropylmethoxy)-5-(trifluoromethyl)phenyl]furan?
The IUPAC name of 2-[3-(cyclopropylmethoxy)-5-(trifluoromethyl)phenyl]furan (CID 168528181) is 2-[3-(cyclopropylmethoxy)-5-(trifluoromethyl)phenyl]furan.
What is the SMILES notation for 2-[3-(cyclopropylmethoxy)-5-(trifluoromethyl)phenyl]furan?
The canonical SMILES for 2-[3-(cyclopropylmethoxy)-5-(trifluoromethyl)phenyl]furan is FC(F)(F)c1cc(OCC2CC2)cc(-c2ccco2)c1.
What is the InChIKey of 2-[3-(cyclopropylmethoxy)-5-(trifluoromethyl)phenyl]furan?
The InChIKey is FKFHLQBKWUBIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3O2/c16-15(17,18)12-6-11(14-2-1-5-19-14)7-13(8-12)20-9-10-3-4-10/h1-2,5-8,10H,3-4,9H2.
What are the key properties of 2-[3-(cyclopropylmethoxy)-5-(trifluoromethyl)phenyl]furan?
2-[3-(cyclopropylmethoxy)-5-(trifluoromethyl)phenyl]furan has a molecular weight of 282.26 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopropylmethoxy)-5-(trifluoromethyl)phenyl]furan is sourced from PubChem (CID 168528181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).