6-fluoro-3-(2-hydroxyethyl)hexan-2-one

C8H15FO2 — CID 103343847

IUPAC6-fluoro-3-(2-hydroxyethyl)hexan-2-one
SMILESCC(=O)C(CCO)CCCF
InChIInChI=1S/C8H15FO2/c1-7(11)8(4-6-10)3-2-5-9/h8,10H,2-6H2,1H3
InChIKeyUDDDQNOKJLQCBL-UHFFFAOYSA-N
MW162.20 g/mol
LogP1.32
Rot. Bonds6

About 6-fluoro-3-(2-hydroxyethyl)hexan-2-one

6-fluoro-3-(2-hydroxyethyl)hexan-2-one (PubChem CID 103343847) has the molecular formula C8H15FO2 and a molecular weight of 162.20 g/mol. Its IUPAC name is 6-fluoro-3-(2-hydroxyethyl)hexan-2-one.

Molecular Properties

Compound Name6-fluoro-3-(2-hydroxyethyl)hexan-2-one
PubChem CID103343847
Molecular FormulaC8H15FO2
Molecular Weight162.20 g/mol
Exact Mass162.11
IUPAC Name6-fluoro-3-(2-hydroxyethyl)hexan-2-one
SMILESCC(=O)C(CCO)CCCF
InChIInChI=1S/C8H15FO2/c1-7(11)8(4-6-10)3-2-5-9/h8,10H,2-6H2,1H3
InChIKeyUDDDQNOKJLQCBL-UHFFFAOYSA-N
XLogP1.32
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-hydroxyethyl)oct-7-en-2-one
CID 103343971
6-ethylsulfanyl-3-(2-hydroxyethyl)hexan-2-one
CID 103343956
5,5,5-trifluoro-3-(2-hydroxyethyl)pentan-2-one
CID 103343915
6-amino-3-(2-aminoethyl)hexan-2-one
CID 22709233
3-(2-hydroxyethyl)hept-6-yn-2-one
CID 103343922
3-pentylnonan-2-one
CID 21290467
3-ethyl-5-fluoropentan-2-one
CID 80696730
3-(2-hydroxyethyl)-5-(2-methylpropoxy)pentan-2-one
CID 106454401
3-(2-hydroxyethyl)-5-phenylpentan-2-one
CID 103344035
3-butylundecan-2-one
CID 10922232
(2S,4R)-2-amino-4-(3-fluoropropyl)pentanedioic acid
CID 88947507
10-hydroxy-3-(7-hydroxy-6,6-dimethylheptyl)-9,9-dimethyldecan-2-one
CID 59125140

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-(2-hydroxyethyl)hexan-2-one?
The IUPAC name of 6-fluoro-3-(2-hydroxyethyl)hexan-2-one (CID 103343847) is 6-fluoro-3-(2-hydroxyethyl)hexan-2-one.
What is the SMILES notation for 6-fluoro-3-(2-hydroxyethyl)hexan-2-one?
The canonical SMILES for 6-fluoro-3-(2-hydroxyethyl)hexan-2-one is CC(=O)C(CCO)CCCF.
What is the InChIKey of 6-fluoro-3-(2-hydroxyethyl)hexan-2-one?
The InChIKey is UDDDQNOKJLQCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FO2/c1-7(11)8(4-6-10)3-2-5-9/h8,10H,2-6H2,1H3.
What are the key properties of 6-fluoro-3-(2-hydroxyethyl)hexan-2-one?
6-fluoro-3-(2-hydroxyethyl)hexan-2-one has a molecular weight of 162.20 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-(2-hydroxyethyl)hexan-2-one is sourced from PubChem (CID 103343847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).