6-ethyl-1,1,1-trifluorodecan-4-one

C12H21F3O — CID 79954755

IUPAC6-ethyl-1,1,1-trifluorodecan-4-one
SMILESCCCCC(CC)CC(=O)CCC(F)(F)F
InChIInChI=1S/C12H21F3O/c1-3-5-6-10(4-2)9-11(16)7-8-12(13,14)15/h10H,3-9H2,1-2H3
InChIKeyBACDQSWGXACEJD-UHFFFAOYSA-N
MW238.29 g/mol
LogP4.50
Rot. Bonds8

About 6-ethyl-1,1,1-trifluorodecan-4-one

6-ethyl-1,1,1-trifluorodecan-4-one (PubChem CID 79954755) has the molecular formula C12H21F3O and a molecular weight of 238.29 g/mol. Its IUPAC name is 6-ethyl-1,1,1-trifluorodecan-4-one.

Molecular Properties

Compound Name6-ethyl-1,1,1-trifluorodecan-4-one
PubChem CID79954755
Molecular FormulaC12H21F3O
Molecular Weight238.29 g/mol
Exact Mass238.15
IUPAC Name6-ethyl-1,1,1-trifluorodecan-4-one
SMILESCCCCC(CC)CC(=O)CCC(F)(F)F
InChIInChI=1S/C12H21F3O/c1-3-5-6-10(4-2)9-11(16)7-8-12(13,14)15/h10H,3-9H2,1-2H3
InChIKeyBACDQSWGXACEJD-UHFFFAOYSA-N
XLogP4.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1,1,1-trifluorodecan-4-one?
The IUPAC name of 6-ethyl-1,1,1-trifluorodecan-4-one (CID 79954755) is 6-ethyl-1,1,1-trifluorodecan-4-one.
What is the SMILES notation for 6-ethyl-1,1,1-trifluorodecan-4-one?
The canonical SMILES for 6-ethyl-1,1,1-trifluorodecan-4-one is CCCCC(CC)CC(=O)CCC(F)(F)F.
What is the InChIKey of 6-ethyl-1,1,1-trifluorodecan-4-one?
The InChIKey is BACDQSWGXACEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3O/c1-3-5-6-10(4-2)9-11(16)7-8-12(13,14)15/h10H,3-9H2,1-2H3.
What are the key properties of 6-ethyl-1,1,1-trifluorodecan-4-one?
6-ethyl-1,1,1-trifluorodecan-4-one has a molecular weight of 238.29 g/mol, XLogP of 4.50, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1,1,1-trifluorodecan-4-one is sourced from PubChem (CID 79954755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).