5-tert-butyl-2-chloro-3-fluorofuran

C8H10ClFO — CID 146378662

IUPAC5-tert-butyl-2-chloro-3-fluorofuran
SMILESCC(C)(C)c1cc(F)c(Cl)o1
InChIInChI=1S/C8H10ClFO/c1-8(2,3)6-4-5(10)7(9)11-6/h4H,1-3H3
InChIKeyLTYGWKIQISAQTD-UHFFFAOYSA-N
MW176.62 g/mol
LogP3.37
Rot. Bonds

About 5-tert-butyl-2-chloro-3-fluorofuran

5-tert-butyl-2-chloro-3-fluorofuran (PubChem CID 146378662) has the molecular formula C8H10ClFO and a molecular weight of 176.62 g/mol. Its IUPAC name is 5-tert-butyl-2-chloro-3-fluorofuran.

Molecular Properties

Compound Name5-tert-butyl-2-chloro-3-fluorofuran
PubChem CID146378662
Molecular FormulaC8H10ClFO
Molecular Weight176.62 g/mol
Exact Mass176.04
IUPAC Name5-tert-butyl-2-chloro-3-fluorofuran
SMILESCC(C)(C)c1cc(F)c(Cl)o1
InChIInChI=1S/C8H10ClFO/c1-8(2,3)6-4-5(10)7(9)11-6/h4H,1-3H3
InChIKeyLTYGWKIQISAQTD-UHFFFAOYSA-N
XLogP3.37
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.62
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Tert-butyl-5-(1-fluoroethyl)furan
CID 59279440
2,5-Ditert-butyl-3-fluorofuran
CID 122449101
2-Tert-butyl-4-fluorofuran
CID 124130672
2-Tert-butyl-5-(trifluoromethyl)furan
CID 134482627
2-Chloro-3-fluoro-5-methylfuran
CID 138494797
2-Tert-butyl-5-fluorofuran
CID 141658049
2-Fluoro-5-propan-2-ylfuran
CID 144946173
2-Tert-butyl-3-fluorofuran
CID 146377015
2-Tert-butyl-5-fluoro-3-iodofuran
CID 146377026
2-Tert-butyl-5-fluoro-3-methylfuran
CID 146377030
5-Tert-butyl-3-fluoro-2-iodofuran
CID 146377035
3-Fluoro-2-methyl-5-(2-methylhexan-2-yl)furan
CID 146377036

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-chloro-3-fluorofuran?
The IUPAC name of 5-tert-butyl-2-chloro-3-fluorofuran (CID 146378662) is 5-tert-butyl-2-chloro-3-fluorofuran.
What is the SMILES notation for 5-tert-butyl-2-chloro-3-fluorofuran?
The canonical SMILES for 5-tert-butyl-2-chloro-3-fluorofuran is CC(C)(C)c1cc(F)c(Cl)o1.
What is the InChIKey of 5-tert-butyl-2-chloro-3-fluorofuran?
The InChIKey is LTYGWKIQISAQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClFO/c1-8(2,3)6-4-5(10)7(9)11-6/h4H,1-3H3.
What are the key properties of 5-tert-butyl-2-chloro-3-fluorofuran?
5-tert-butyl-2-chloro-3-fluorofuran has a molecular weight of 176.62 g/mol, XLogP of 3.37, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-chloro-3-fluorofuran is sourced from PubChem (CID 146378662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).