1-(cyclopenten-1-yl)-5,5,5-trifluoropentan-1-one

C10H13F3O — CID 103448187

IUPAC1-(cyclopenten-1-yl)-5,5,5-trifluoropentan-1-one
SMILESO=C(CCCC(F)(F)F)C1=CCCC1
InChIInChI=1S/C10H13F3O/c11-10(12,13)7-3-6-9(14)8-4-1-2-5-8/h4H,1-3,5-7H2
InChIKeyHZSDAEYZPVJPKN-UHFFFAOYSA-N
MW206.21 g/mol
LogP3.40
Rot. Bonds4

About 1-(cyclopenten-1-yl)-5,5,5-trifluoropentan-1-one

1-(cyclopenten-1-yl)-5,5,5-trifluoropentan-1-one (PubChem CID 103448187) has the molecular formula C10H13F3O and a molecular weight of 206.21 g/mol. Its IUPAC name is 1-(cyclopenten-1-yl)-5,5,5-trifluoropentan-1-one.

Molecular Properties

Compound Name1-(cyclopenten-1-yl)-5,5,5-trifluoropentan-1-one
PubChem CID103448187
Molecular FormulaC10H13F3O
Molecular Weight206.21 g/mol
Exact Mass206.09
IUPAC Name1-(cyclopenten-1-yl)-5,5,5-trifluoropentan-1-one
SMILESO=C(CCCC(F)(F)F)C1=CCCC1
InChIInChI=1S/C10H13F3O/c11-10(12,13)7-3-6-9(14)8-4-1-2-5-8/h4H,1-3,5-7H2
InChIKeyHZSDAEYZPVJPKN-UHFFFAOYSA-N
XLogP3.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopenten-1-yl)-5,5,5-trifluoropentan-1-one?
The IUPAC name of 1-(cyclopenten-1-yl)-5,5,5-trifluoropentan-1-one (CID 103448187) is 1-(cyclopenten-1-yl)-5,5,5-trifluoropentan-1-one.
What is the SMILES notation for 1-(cyclopenten-1-yl)-5,5,5-trifluoropentan-1-one?
The canonical SMILES for 1-(cyclopenten-1-yl)-5,5,5-trifluoropentan-1-one is O=C(CCCC(F)(F)F)C1=CCCC1.
What is the InChIKey of 1-(cyclopenten-1-yl)-5,5,5-trifluoropentan-1-one?
The InChIKey is HZSDAEYZPVJPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3O/c11-10(12,13)7-3-6-9(14)8-4-1-2-5-8/h4H,1-3,5-7H2.
What are the key properties of 1-(cyclopenten-1-yl)-5,5,5-trifluoropentan-1-one?
1-(cyclopenten-1-yl)-5,5,5-trifluoropentan-1-one has a molecular weight of 206.21 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopenten-1-yl)-5,5,5-trifluoropentan-1-one is sourced from PubChem (CID 103448187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).