2-butyl-2,3,3,4,4,5,5-heptafluorocyclopentan-1-one

C9H9F7O — CID 175064988

IUPAC2-butyl-2,3,3,4,4,5,5-heptafluorocyclopentan-1-one
SMILESCCCCC1(F)C(=O)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C9H9F7O/c1-2-3-4-6(10)5(17)7(11,12)9(15,16)8(6,13)14/h2-4H2,1H3
InChIKeyVWQBKQGYRCQKNH-UHFFFAOYSA-N
MW266.16 g/mol
LogP3.37
Rot. Bonds3

About 2-butyl-2,3,3,4,4,5,5-heptafluorocyclopentan-1-one

2-butyl-2,3,3,4,4,5,5-heptafluorocyclopentan-1-one (PubChem CID 175064988) has the molecular formula C9H9F7O and a molecular weight of 266.16 g/mol. Its IUPAC name is 2-butyl-2,3,3,4,4,5,5-heptafluorocyclopentan-1-one.

Molecular Properties

Compound Name2-butyl-2,3,3,4,4,5,5-heptafluorocyclopentan-1-one
PubChem CID175064988
Molecular FormulaC9H9F7O
Molecular Weight266.16 g/mol
Exact Mass266.05
IUPAC Name2-butyl-2,3,3,4,4,5,5-heptafluorocyclopentan-1-one
SMILESCCCCC1(F)C(=O)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C9H9F7O/c1-2-3-4-6(10)5(17)7(11,12)9(15,16)8(6,13)14/h2-4H2,1H3
InChIKeyVWQBKQGYRCQKNH-UHFFFAOYSA-N
XLogP3.37
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.16
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

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(3S)-3-methyl-3-pentyloxiran-2-one
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Frequently Asked Questions

What is the IUPAC name of 2-butyl-2,3,3,4,4,5,5-heptafluorocyclopentan-1-one?
The IUPAC name of 2-butyl-2,3,3,4,4,5,5-heptafluorocyclopentan-1-one (CID 175064988) is 2-butyl-2,3,3,4,4,5,5-heptafluorocyclopentan-1-one.
What is the SMILES notation for 2-butyl-2,3,3,4,4,5,5-heptafluorocyclopentan-1-one?
The canonical SMILES for 2-butyl-2,3,3,4,4,5,5-heptafluorocyclopentan-1-one is CCCCC1(F)C(=O)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 2-butyl-2,3,3,4,4,5,5-heptafluorocyclopentan-1-one?
The InChIKey is VWQBKQGYRCQKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F7O/c1-2-3-4-6(10)5(17)7(11,12)9(15,16)8(6,13)14/h2-4H2,1H3.
What are the key properties of 2-butyl-2,3,3,4,4,5,5-heptafluorocyclopentan-1-one?
2-butyl-2,3,3,4,4,5,5-heptafluorocyclopentan-1-one has a molecular weight of 266.16 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-2,3,3,4,4,5,5-heptafluorocyclopentan-1-one is sourced from PubChem (CID 175064988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).