7,7,7-trifluoro-6-hydroxyheptan-3-one

C7H11F3O2 — CID 13350497

IUPAC7,7,7-trifluoro-6-hydroxyheptan-3-one
SMILESCCC(=O)CCC(O)C(F)(F)F
InChIInChI=1S/C7H11F3O2/c1-2-5(11)3-4-6(12)7(8,9)10/h6,12H,2-4H2,1H3
InChIKeyQJMQDEOHJAHGHC-UHFFFAOYSA-N
MW184.16 g/mol
LogP1.67
Rot. Bonds4

About 7,7,7-trifluoro-6-hydroxyheptan-3-one

7,7,7-trifluoro-6-hydroxyheptan-3-one (PubChem CID 13350497) has the molecular formula C7H11F3O2 and a molecular weight of 184.16 g/mol. Its IUPAC name is 7,7,7-trifluoro-6-hydroxyheptan-3-one.

Molecular Properties

Compound Name7,7,7-trifluoro-6-hydroxyheptan-3-one
PubChem CID13350497
Molecular FormulaC7H11F3O2
Molecular Weight184.16 g/mol
Exact Mass184.07
IUPAC Name7,7,7-trifluoro-6-hydroxyheptan-3-one
SMILESCCC(=O)CCC(O)C(F)(F)F
InChIInChI=1S/C7H11F3O2/c1-2-5(11)3-4-6(12)7(8,9)10/h6,12H,2-4H2,1H3
InChIKeyQJMQDEOHJAHGHC-UHFFFAOYSA-N
XLogP1.67
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,7,7-trifluoro-6-hydroxyheptan-3-one?
The IUPAC name of 7,7,7-trifluoro-6-hydroxyheptan-3-one (CID 13350497) is 7,7,7-trifluoro-6-hydroxyheptan-3-one.
What is the SMILES notation for 7,7,7-trifluoro-6-hydroxyheptan-3-one?
The canonical SMILES for 7,7,7-trifluoro-6-hydroxyheptan-3-one is CCC(=O)CCC(O)C(F)(F)F.
What is the InChIKey of 7,7,7-trifluoro-6-hydroxyheptan-3-one?
The InChIKey is QJMQDEOHJAHGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3O2/c1-2-5(11)3-4-6(12)7(8,9)10/h6,12H,2-4H2,1H3.
What are the key properties of 7,7,7-trifluoro-6-hydroxyheptan-3-one?
7,7,7-trifluoro-6-hydroxyheptan-3-one has a molecular weight of 184.16 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,7-trifluoro-6-hydroxyheptan-3-one is sourced from PubChem (CID 13350497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).