5-(2-fluoro-1-methoxypropan-2-yl)-2-methylcyclohex-2-en-1-one

C11H17FO2 — CID 10058622

IUPAC5-(2-fluoro-1-methoxypropan-2-yl)-2-methylcyclohex-2-en-1-one
SMILESCOCC(C)(F)C1CC=C(C)C(=O)C1
InChIInChI=1S/C11H17FO2/c1-8-4-5-9(6-10(8)13)11(2,12)7-14-3/h4,9H,5-7H2,1-3H3
InChIKeyKKGFWODASDTWPM-UHFFFAOYSA-N
MW200.25 g/mol
LogP2.29
Rot. Bonds3

About 5-(2-fluoro-1-methoxypropan-2-yl)-2-methylcyclohex-2-en-1-one

5-(2-fluoro-1-methoxypropan-2-yl)-2-methylcyclohex-2-en-1-one (PubChem CID 10058622) has the molecular formula C11H17FO2 and a molecular weight of 200.25 g/mol. Its IUPAC name is 5-(2-fluoro-1-methoxypropan-2-yl)-2-methylcyclohex-2-en-1-one.

Molecular Properties

Compound Name5-(2-fluoro-1-methoxypropan-2-yl)-2-methylcyclohex-2-en-1-one
PubChem CID10058622
Molecular FormulaC11H17FO2
Molecular Weight200.25 g/mol
Exact Mass200.12
IUPAC Name5-(2-fluoro-1-methoxypropan-2-yl)-2-methylcyclohex-2-en-1-one
SMILESCOCC(C)(F)C1CC=C(C)C(=O)C1
InChIInChI=1S/C11H17FO2/c1-8-4-5-9(6-10(8)13)11(2,12)7-14-3/h4,9H,5-7H2,1-3H3
InChIKeyKKGFWODASDTWPM-UHFFFAOYSA-N
XLogP2.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.25
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Cyclohexen-1-one, 2-methyl-5-(2-methyloxiranyl)-
CID 9920473
2-Cyclohexen-1-one, 2-methyl-5-(2-methyloxiranyl)-, (5R)-
CID 10511263
5-(2-Methoxyethyl)-6,6-dimethylcyclohex-2-enone
CID 21580131
(4R,5R)-4-(dimethoxymethyl)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
CID 138606720
(3R)-3-fluoro-6-(2-methoxyethyl)cyclohexene-1-carbaldehyde
CID 156057112
3-Ethoxy-6-(2-methylpropyl)cyclohex-2-en-1-one
CID 10241790
2-Cyclohexen-1-one, 3-ethoxy-6-propyl-
CID 10352328
2-Cyclohexen-1-one, 2-methyl-5-(2-methyloxiranyl)-, (5S)-
CID 11958202
5-(2-Acetoxyethyl)-2,6,6-trimethylcyclohex-2-enone
CID 85661508
(5S)-5-(2-methoxypropan-2-yl)-2-methylcyclohex-2-en-1-one
CID 134894571
S-(2-(4-Methyl-5-oxo-3-cyclohexen-1-yl)propyl) ethanethioate
CID 44145537
O-[2-[(1S)-4-methyl-5-oxocyclohex-3-en-1-yl]propyl] ethanethioate
CID 90476651

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-1-methoxypropan-2-yl)-2-methylcyclohex-2-en-1-one?
The IUPAC name of 5-(2-fluoro-1-methoxypropan-2-yl)-2-methylcyclohex-2-en-1-one (CID 10058622) is 5-(2-fluoro-1-methoxypropan-2-yl)-2-methylcyclohex-2-en-1-one.
What is the SMILES notation for 5-(2-fluoro-1-methoxypropan-2-yl)-2-methylcyclohex-2-en-1-one?
The canonical SMILES for 5-(2-fluoro-1-methoxypropan-2-yl)-2-methylcyclohex-2-en-1-one is COCC(C)(F)C1CC=C(C)C(=O)C1.
What is the InChIKey of 5-(2-fluoro-1-methoxypropan-2-yl)-2-methylcyclohex-2-en-1-one?
The InChIKey is KKGFWODASDTWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FO2/c1-8-4-5-9(6-10(8)13)11(2,12)7-14-3/h4,9H,5-7H2,1-3H3.
What are the key properties of 5-(2-fluoro-1-methoxypropan-2-yl)-2-methylcyclohex-2-en-1-one?
5-(2-fluoro-1-methoxypropan-2-yl)-2-methylcyclohex-2-en-1-one has a molecular weight of 200.25 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-1-methoxypropan-2-yl)-2-methylcyclohex-2-en-1-one is sourced from PubChem (CID 10058622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).