5-chloro-6-(trifluoromethyl)-2-benzofuran

C9H4ClF3O — CID 91137003

IUPAC5-chloro-6-(trifluoromethyl)-2-benzofuran
SMILESFC(F)(F)c1cc2cocc2cc1Cl
InChIInChI=1S/C9H4ClF3O/c10-8-2-6-4-14-3-5(6)1-7(8)9(11,12)13/h1-4H
InChIKeyKBPXGBMELFTADK-UHFFFAOYSA-N
MW220.58 g/mol
LogP4.11
Rot. Bonds

About 5-chloro-6-(trifluoromethyl)-2-benzofuran

5-chloro-6-(trifluoromethyl)-2-benzofuran (PubChem CID 91137003) has the molecular formula C9H4ClF3O and a molecular weight of 220.58 g/mol. Its IUPAC name is 5-chloro-6-(trifluoromethyl)-2-benzofuran.

Molecular Properties

Compound Name5-chloro-6-(trifluoromethyl)-2-benzofuran
PubChem CID91137003
Molecular FormulaC9H4ClF3O
Molecular Weight220.58 g/mol
Exact Mass219.99
IUPAC Name5-chloro-6-(trifluoromethyl)-2-benzofuran
SMILESFC(F)(F)c1cc2cocc2cc1Cl
InChIInChI=1S/C9H4ClF3O/c10-8-2-6-4-14-3-5(6)1-7(8)9(11,12)13/h1-4H
InChIKeyKBPXGBMELFTADK-UHFFFAOYSA-N
XLogP4.11
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.58
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5,6-dichloro-2-benzofuran
CID 150692512
2,4-dichloro-5-(trifluoromethyl)benzenethiol
CID 121234788
[2,4-dichloro-5-(trifluoromethyl)phenyl]methanamine
CID 171014545
(6-chloro-2-benzofuran-5-yl) trifluoromethanesulfonate
CID 135240798
2,6-dichloro-5-(trifluoromethyl)-1,3-benzoxazole
CID 134297312
CID 162603813
CID 162603813
5-chloro-2-methyl-6-(trifluoromethyl)-1,3-dihydroisoindole
CID 156823016
2-amino-5-chloro-4-(trifluoromethyl)benzenethiol
CID 82548296
1-[4-chloro-3-(trifluoromethyl)phenyl]pyrrole
CID 4715179
[2-bromo-4-chloro-5-(trifluoromethyl)phenyl]methanamine
CID 171014019
[4-chloro-2,5-bis(trifluoromethyl)phenyl]hydrazine
CID 156702121
7-bromo-6-chloro-3-(trifluoromethyl)chromen-2-one
CID 73437994

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(trifluoromethyl)-2-benzofuran?
The IUPAC name of 5-chloro-6-(trifluoromethyl)-2-benzofuran (CID 91137003) is 5-chloro-6-(trifluoromethyl)-2-benzofuran.
What is the SMILES notation for 5-chloro-6-(trifluoromethyl)-2-benzofuran?
The canonical SMILES for 5-chloro-6-(trifluoromethyl)-2-benzofuran is FC(F)(F)c1cc2cocc2cc1Cl.
What is the InChIKey of 5-chloro-6-(trifluoromethyl)-2-benzofuran?
The InChIKey is KBPXGBMELFTADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClF3O/c10-8-2-6-4-14-3-5(6)1-7(8)9(11,12)13/h1-4H.
What are the key properties of 5-chloro-6-(trifluoromethyl)-2-benzofuran?
5-chloro-6-(trifluoromethyl)-2-benzofuran has a molecular weight of 220.58 g/mol, XLogP of 4.11, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(trifluoromethyl)-2-benzofuran is sourced from PubChem (CID 91137003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).