2-[4-chloro-3-(trifluoromethyl)phenyl]-5-propan-2-ylfuran

C14H12ClF3O — CID 126610083

IUPAC2-[4-chloro-3-(trifluoromethyl)phenyl]-5-propan-2-ylfuran
SMILESCC(C)c1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)o1
InChIInChI=1S/C14H12ClF3O/c1-8(2)12-5-6-13(19-12)9-3-4-11(15)10(7-9)14(16,17)18/h3-8H,1-2H3
InChIKeyJOBUBGAVLUNVJQ-UHFFFAOYSA-N
MW288.70 g/mol
LogP5.74
Rot. Bonds2

About 2-[4-chloro-3-(trifluoromethyl)phenyl]-5-propan-2-ylfuran

2-[4-chloro-3-(trifluoromethyl)phenyl]-5-propan-2-ylfuran (PubChem CID 126610083) has the molecular formula C14H12ClF3O and a molecular weight of 288.70 g/mol. Its IUPAC name is 2-[4-chloro-3-(trifluoromethyl)phenyl]-5-propan-2-ylfuran.

Molecular Properties

Compound Name2-[4-chloro-3-(trifluoromethyl)phenyl]-5-propan-2-ylfuran
PubChem CID126610083
Molecular FormulaC14H12ClF3O
Molecular Weight288.70 g/mol
Exact Mass288.05
IUPAC Name2-[4-chloro-3-(trifluoromethyl)phenyl]-5-propan-2-ylfuran
SMILESCC(C)c1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)o1
InChIInChI=1S/C14H12ClF3O/c1-8(2)12-5-6-13(19-12)9-3-4-11(15)10(7-9)14(16,17)18/h3-8H,1-2H3
InChIKeyJOBUBGAVLUNVJQ-UHFFFAOYSA-N
XLogP5.74
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.70
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-3-(trifluoromethyl)phenyl]-5-propan-2-ylfuran?
The IUPAC name of 2-[4-chloro-3-(trifluoromethyl)phenyl]-5-propan-2-ylfuran (CID 126610083) is 2-[4-chloro-3-(trifluoromethyl)phenyl]-5-propan-2-ylfuran.
What is the SMILES notation for 2-[4-chloro-3-(trifluoromethyl)phenyl]-5-propan-2-ylfuran?
The canonical SMILES for 2-[4-chloro-3-(trifluoromethyl)phenyl]-5-propan-2-ylfuran is CC(C)c1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)o1.
What is the InChIKey of 2-[4-chloro-3-(trifluoromethyl)phenyl]-5-propan-2-ylfuran?
The InChIKey is JOBUBGAVLUNVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF3O/c1-8(2)12-5-6-13(19-12)9-3-4-11(15)10(7-9)14(16,17)18/h3-8H,1-2H3.
What are the key properties of 2-[4-chloro-3-(trifluoromethyl)phenyl]-5-propan-2-ylfuran?
2-[4-chloro-3-(trifluoromethyl)phenyl]-5-propan-2-ylfuran has a molecular weight of 288.70 g/mol, XLogP of 5.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-3-(trifluoromethyl)phenyl]-5-propan-2-ylfuran is sourced from PubChem (CID 126610083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).