4,4,4-trifluoro-1-(1-methoxycyclopentyl)butan-1-one

C10H15F3O2 — CID 104610119

IUPAC4,4,4-trifluoro-1-(1-methoxycyclopentyl)butan-1-one
SMILESCOC1(C(=O)CCC(F)(F)F)CCCC1
InChIInChI=1S/C10H15F3O2/c1-15-9(5-2-3-6-9)8(14)4-7-10(11,12)13/h2-7H2,1H3
InChIKeyPVVZOEUFQIOFOR-UHFFFAOYSA-N
MW224.22 g/mol
LogP2.86
Rot. Bonds4

About 4,4,4-trifluoro-1-(1-methoxycyclopentyl)butan-1-one

4,4,4-trifluoro-1-(1-methoxycyclopentyl)butan-1-one (PubChem CID 104610119) has the molecular formula C10H15F3O2 and a molecular weight of 224.22 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(1-methoxycyclopentyl)butan-1-one.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(1-methoxycyclopentyl)butan-1-one
PubChem CID104610119
Molecular FormulaC10H15F3O2
Molecular Weight224.22 g/mol
Exact Mass224.10
IUPAC Name4,4,4-trifluoro-1-(1-methoxycyclopentyl)butan-1-one
SMILESCOC1(C(=O)CCC(F)(F)F)CCCC1
InChIInChI=1S/C10H15F3O2/c1-15-9(5-2-3-6-9)8(14)4-7-10(11,12)13/h2-7H2,1H3
InChIKeyPVVZOEUFQIOFOR-UHFFFAOYSA-N
XLogP2.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-(1-methoxycyclopentyl)butan-1-one?
The IUPAC name of 4,4,4-trifluoro-1-(1-methoxycyclopentyl)butan-1-one (CID 104610119) is 4,4,4-trifluoro-1-(1-methoxycyclopentyl)butan-1-one.
What is the SMILES notation for 4,4,4-trifluoro-1-(1-methoxycyclopentyl)butan-1-one?
The canonical SMILES for 4,4,4-trifluoro-1-(1-methoxycyclopentyl)butan-1-one is COC1(C(=O)CCC(F)(F)F)CCCC1.
What is the InChIKey of 4,4,4-trifluoro-1-(1-methoxycyclopentyl)butan-1-one?
The InChIKey is PVVZOEUFQIOFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3O2/c1-15-9(5-2-3-6-9)8(14)4-7-10(11,12)13/h2-7H2,1H3.
What are the key properties of 4,4,4-trifluoro-1-(1-methoxycyclopentyl)butan-1-one?
4,4,4-trifluoro-1-(1-methoxycyclopentyl)butan-1-one has a molecular weight of 224.22 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-(1-methoxycyclopentyl)butan-1-one is sourced from PubChem (CID 104610119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).