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

C12H8ClF3O — CID 123366130

IUPAC2-[4-chloro-3-(trifluoromethyl)phenyl]-5-methylfuran
SMILESCc1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)o1
InChIInChI=1S/C12H8ClF3O/c1-7-2-5-11(17-7)8-3-4-10(13)9(6-8)12(14,15)16/h2-6H,1H3
InChIKeyFKCBKYZMWAFNMM-UHFFFAOYSA-N
MW260.64 g/mol
LogP4.93
Rot. Bonds1

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

2-[4-chloro-3-(trifluoromethyl)phenyl]-5-methylfuran (PubChem CID 123366130) has the molecular formula C12H8ClF3O and a molecular weight of 260.64 g/mol. Its IUPAC name is 2-[4-chloro-3-(trifluoromethyl)phenyl]-5-methylfuran.

Molecular Properties

Compound Name2-[4-chloro-3-(trifluoromethyl)phenyl]-5-methylfuran
PubChem CID123366130
Molecular FormulaC12H8ClF3O
Molecular Weight260.64 g/mol
Exact Mass260.02
IUPAC Name2-[4-chloro-3-(trifluoromethyl)phenyl]-5-methylfuran
SMILESCc1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)o1
InChIInChI=1S/C12H8ClF3O/c1-7-2-5-11(17-7)8-3-4-10(13)9(6-8)12(14,15)16/h2-6H,1H3
InChIKeyFKCBKYZMWAFNMM-UHFFFAOYSA-N
XLogP4.93
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.64
LogP ≤ 54.93
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-methylfuran?
The IUPAC name of 2-[4-chloro-3-(trifluoromethyl)phenyl]-5-methylfuran (CID 123366130) is 2-[4-chloro-3-(trifluoromethyl)phenyl]-5-methylfuran.
What is the SMILES notation for 2-[4-chloro-3-(trifluoromethyl)phenyl]-5-methylfuran?
The canonical SMILES for 2-[4-chloro-3-(trifluoromethyl)phenyl]-5-methylfuran is Cc1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)o1.
What is the InChIKey of 2-[4-chloro-3-(trifluoromethyl)phenyl]-5-methylfuran?
The InChIKey is FKCBKYZMWAFNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF3O/c1-7-2-5-11(17-7)8-3-4-10(13)9(6-8)12(14,15)16/h2-6H,1H3.
What are the key properties of 2-[4-chloro-3-(trifluoromethyl)phenyl]-5-methylfuran?
2-[4-chloro-3-(trifluoromethyl)phenyl]-5-methylfuran has a molecular weight of 260.64 g/mol, XLogP of 4.93, 1 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-methylfuran is sourced from PubChem (CID 123366130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).