2-tert-butyl-5-(1-fluoroethyl)furan

C10H15FO — CID 59279440

IUPAC2-tert-butyl-5-(1-fluoroethyl)furan
SMILESCC(F)c1ccc(C(C)(C)C)o1
InChIInChI=1S/C10H15FO/c1-7(11)8-5-6-9(12-8)10(2,3)4/h5-7H,1-4H3
InChIKeyDZOSKERLPGRMJQ-UHFFFAOYSA-N
MW170.23 g/mol
LogP3.61
Rot. Bonds1

About 2-tert-butyl-5-(1-fluoroethyl)furan

2-tert-butyl-5-(1-fluoroethyl)furan (PubChem CID 59279440) has the molecular formula C10H15FO and a molecular weight of 170.23 g/mol. Its IUPAC name is 2-tert-butyl-5-(1-fluoroethyl)furan.

Molecular Properties

Compound Name2-tert-butyl-5-(1-fluoroethyl)furan
PubChem CID59279440
Molecular FormulaC10H15FO
Molecular Weight170.23 g/mol
Exact Mass170.11
IUPAC Name2-tert-butyl-5-(1-fluoroethyl)furan
SMILESCC(F)c1ccc(C(C)(C)C)o1
InChIInChI=1S/C10H15FO/c1-7(11)8-5-6-9(12-8)10(2,3)4/h5-7H,1-4H3
InChIKeyDZOSKERLPGRMJQ-UHFFFAOYSA-N
XLogP3.61
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(1-fluoroethyl)furan?
The IUPAC name of 2-tert-butyl-5-(1-fluoroethyl)furan (CID 59279440) is 2-tert-butyl-5-(1-fluoroethyl)furan.
What is the SMILES notation for 2-tert-butyl-5-(1-fluoroethyl)furan?
The canonical SMILES for 2-tert-butyl-5-(1-fluoroethyl)furan is CC(F)c1ccc(C(C)(C)C)o1.
What is the InChIKey of 2-tert-butyl-5-(1-fluoroethyl)furan?
The InChIKey is DZOSKERLPGRMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FO/c1-7(11)8-5-6-9(12-8)10(2,3)4/h5-7H,1-4H3.
What are the key properties of 2-tert-butyl-5-(1-fluoroethyl)furan?
2-tert-butyl-5-(1-fluoroethyl)furan has a molecular weight of 170.23 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(1-fluoroethyl)furan is sourced from PubChem (CID 59279440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).