1-cyclopropyl-4-fluorobutan-1-one

C7H11FO — CID 80696866

IUPAC1-cyclopropyl-4-fluorobutan-1-one
SMILESO=C(CCCF)C1CC1
InChIInChI=1S/C7H11FO/c8-5-1-2-7(9)6-3-4-6/h6H,1-5H2
InChIKeyDODCKYFYFDWARO-UHFFFAOYSA-N
MW130.16 g/mol
LogP1.72
Rot. Bonds4

About 1-cyclopropyl-4-fluorobutan-1-one

1-cyclopropyl-4-fluorobutan-1-one (PubChem CID 80696866) has the molecular formula C7H11FO and a molecular weight of 130.16 g/mol. Its IUPAC name is 1-cyclopropyl-4-fluorobutan-1-one.

Molecular Properties

Compound Name1-cyclopropyl-4-fluorobutan-1-one
PubChem CID80696866
Molecular FormulaC7H11FO
Molecular Weight130.16 g/mol
Exact Mass130.08
IUPAC Name1-cyclopropyl-4-fluorobutan-1-one
SMILESO=C(CCCF)C1CC1
InChIInChI=1S/C7H11FO/c8-5-1-2-7(9)6-3-4-6/h6H,1-5H2
InChIKeyDODCKYFYFDWARO-UHFFFAOYSA-N
XLogP1.72
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.16
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-fluorobutan-1-one?
The IUPAC name of 1-cyclopropyl-4-fluorobutan-1-one (CID 80696866) is 1-cyclopropyl-4-fluorobutan-1-one.
What is the SMILES notation for 1-cyclopropyl-4-fluorobutan-1-one?
The canonical SMILES for 1-cyclopropyl-4-fluorobutan-1-one is O=C(CCCF)C1CC1.
What is the InChIKey of 1-cyclopropyl-4-fluorobutan-1-one?
The InChIKey is DODCKYFYFDWARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FO/c8-5-1-2-7(9)6-3-4-6/h6H,1-5H2.
What are the key properties of 1-cyclopropyl-4-fluorobutan-1-one?
1-cyclopropyl-4-fluorobutan-1-one has a molecular weight of 130.16 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-fluorobutan-1-one is sourced from PubChem (CID 80696866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).