1-[1-(fluoromethyl)cyclopropyl]-2-methylbutan-1-one

C9H15FO — CID 130457312

IUPAC1-[1-(fluoromethyl)cyclopropyl]-2-methylbutan-1-one
SMILESCCC(C)C(=O)C1(CF)CC1
InChIInChI=1S/C9H15FO/c1-3-7(2)8(11)9(6-10)4-5-9/h7H,3-6H2,1-2H3
InChIKeyYQGQSYPDZODTDK-UHFFFAOYSA-N
MW158.22 g/mol
LogP2.35
Rot. Bonds4

About 1-[1-(fluoromethyl)cyclopropyl]-2-methylbutan-1-one

1-[1-(fluoromethyl)cyclopropyl]-2-methylbutan-1-one (PubChem CID 130457312) has the molecular formula C9H15FO and a molecular weight of 158.22 g/mol. Its IUPAC name is 1-[1-(fluoromethyl)cyclopropyl]-2-methylbutan-1-one.

Molecular Properties

Compound Name1-[1-(fluoromethyl)cyclopropyl]-2-methylbutan-1-one
PubChem CID130457312
Molecular FormulaC9H15FO
Molecular Weight158.22 g/mol
Exact Mass158.11
IUPAC Name1-[1-(fluoromethyl)cyclopropyl]-2-methylbutan-1-one
SMILESCCC(C)C(=O)C1(CF)CC1
InChIInChI=1S/C9H15FO/c1-3-7(2)8(11)9(6-10)4-5-9/h7H,3-6H2,1-2H3
InChIKeyYQGQSYPDZODTDK-UHFFFAOYSA-N
XLogP2.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(fluoromethyl)cyclopropyl]-2-methylbutan-1-one?
The IUPAC name of 1-[1-(fluoromethyl)cyclopropyl]-2-methylbutan-1-one (CID 130457312) is 1-[1-(fluoromethyl)cyclopropyl]-2-methylbutan-1-one.
What is the SMILES notation for 1-[1-(fluoromethyl)cyclopropyl]-2-methylbutan-1-one?
The canonical SMILES for 1-[1-(fluoromethyl)cyclopropyl]-2-methylbutan-1-one is CCC(C)C(=O)C1(CF)CC1.
What is the InChIKey of 1-[1-(fluoromethyl)cyclopropyl]-2-methylbutan-1-one?
The InChIKey is YQGQSYPDZODTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FO/c1-3-7(2)8(11)9(6-10)4-5-9/h7H,3-6H2,1-2H3.
What are the key properties of 1-[1-(fluoromethyl)cyclopropyl]-2-methylbutan-1-one?
1-[1-(fluoromethyl)cyclopropyl]-2-methylbutan-1-one has a molecular weight of 158.22 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(fluoromethyl)cyclopropyl]-2-methylbutan-1-one is sourced from PubChem (CID 130457312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).