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

C13H17FO2 — CID 104795064

IUPAC6-(2-fluoro-3-methoxyphenyl)hexan-3-one
SMILESCCC(=O)CCCc1cccc(OC)c1F
InChIInChI=1S/C13H17FO2/c1-3-11(15)8-4-6-10-7-5-9-12(16-2)13(10)14/h5,7,9H,3-4,6,8H2,1-2H3
InChIKeyFNVTVRRAQSYWOA-UHFFFAOYSA-N
MW224.28 g/mol
LogP3.14
Rot. Bonds6

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

6-(2-fluoro-3-methoxyphenyl)hexan-3-one (PubChem CID 104795064) has the molecular formula C13H17FO2 and a molecular weight of 224.28 g/mol. Its IUPAC name is 6-(2-fluoro-3-methoxyphenyl)hexan-3-one.

Molecular Properties

Compound Name6-(2-fluoro-3-methoxyphenyl)hexan-3-one
PubChem CID104795064
Molecular FormulaC13H17FO2
Molecular Weight224.28 g/mol
Exact Mass224.12
IUPAC Name6-(2-fluoro-3-methoxyphenyl)hexan-3-one
SMILESCCC(=O)CCCc1cccc(OC)c1F
InChIInChI=1S/C13H17FO2/c1-3-11(15)8-4-6-10-7-5-9-12(16-2)13(10)14/h5,7,9H,3-4,6,8H2,1-2H3
InChIKeyFNVTVRRAQSYWOA-UHFFFAOYSA-N
XLogP3.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(Z)-2-[2-(2-fluoro-3-methoxyphenyl)ethyl]but-2-enoic acid
CID 174954206
6-(2-fluoro-3-methoxyphenyl)hexan-3-ol
CID 104795145
1-(3-bromopropyl)-2-fluoro-3-methoxybenzene
CID 82812209
4-(2-fluoro-3-methoxyphenyl)butanal
CID 104795063
1-(2,6-dimethoxyphenyl)pentan-3-one
CID 116811041
1-(2-fluoro-3-methoxyphenyl)-3-methoxypropan-2-one
CID 104793398
8-(2,6-difluoro-3-methoxyphenyl)octan-3-one
CID 157048833
1-(2,4-difluorophenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-one
CID 104793440
ethane;5-(2-fluoro-3-propoxyphenyl)pentan-2-one
CID 155707331
3-ethyl-1-(2-fluoro-3-methoxyphenyl)-3-hydroxypentan-2-one
CID 103446967
N-[2-fluoro-3-(6-oxooctyl)phenyl]formamide
CID 176933155
5-amino-1-(2-fluoro-3-methoxyphenyl)-5-methylhexan-2-one
CID 116571457

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-3-methoxyphenyl)hexan-3-one?
The IUPAC name of 6-(2-fluoro-3-methoxyphenyl)hexan-3-one (CID 104795064) is 6-(2-fluoro-3-methoxyphenyl)hexan-3-one.
What is the SMILES notation for 6-(2-fluoro-3-methoxyphenyl)hexan-3-one?
The canonical SMILES for 6-(2-fluoro-3-methoxyphenyl)hexan-3-one is CCC(=O)CCCc1cccc(OC)c1F.
What is the InChIKey of 6-(2-fluoro-3-methoxyphenyl)hexan-3-one?
The InChIKey is FNVTVRRAQSYWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO2/c1-3-11(15)8-4-6-10-7-5-9-12(16-2)13(10)14/h5,7,9H,3-4,6,8H2,1-2H3.
What are the key properties of 6-(2-fluoro-3-methoxyphenyl)hexan-3-one?
6-(2-fluoro-3-methoxyphenyl)hexan-3-one has a molecular weight of 224.28 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoro-3-methoxyphenyl)hexan-3-one is sourced from PubChem (CID 104795064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).