5-fluoro-1-(2-methoxycyclohexyl)pentan-2-one

C12H21FO2 — CID 58129617

IUPAC5-fluoro-1-(2-methoxycyclohexyl)pentan-2-one
SMILESCOC1CCCCC1CC(=O)CCCF
InChIInChI=1S/C12H21FO2/c1-15-12-7-3-2-5-10(12)9-11(14)6-4-8-13/h10,12H,2-9H2,1H3
InChIKeyBBORLZMSJADLJR-UHFFFAOYSA-N
MW216.30 g/mol
LogP2.90
Rot. Bonds6

About 5-fluoro-1-(2-methoxycyclohexyl)pentan-2-one

5-fluoro-1-(2-methoxycyclohexyl)pentan-2-one (PubChem CID 58129617) has the molecular formula C12H21FO2 and a molecular weight of 216.30 g/mol. Its IUPAC name is 5-fluoro-1-(2-methoxycyclohexyl)pentan-2-one.

Molecular Properties

Compound Name5-fluoro-1-(2-methoxycyclohexyl)pentan-2-one
PubChem CID58129617
Molecular FormulaC12H21FO2
Molecular Weight216.30 g/mol
Exact Mass216.15
IUPAC Name5-fluoro-1-(2-methoxycyclohexyl)pentan-2-one
SMILESCOC1CCCCC1CC(=O)CCCF
InChIInChI=1S/C12H21FO2/c1-15-12-7-3-2-5-10(12)9-11(14)6-4-8-13/h10,12H,2-9H2,1H3
InChIKeyBBORLZMSJADLJR-UHFFFAOYSA-N
XLogP2.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.30
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(2-methoxycyclohexyl)pentan-2-one?
The IUPAC name of 5-fluoro-1-(2-methoxycyclohexyl)pentan-2-one (CID 58129617) is 5-fluoro-1-(2-methoxycyclohexyl)pentan-2-one.
What is the SMILES notation for 5-fluoro-1-(2-methoxycyclohexyl)pentan-2-one?
The canonical SMILES for 5-fluoro-1-(2-methoxycyclohexyl)pentan-2-one is COC1CCCCC1CC(=O)CCCF.
What is the InChIKey of 5-fluoro-1-(2-methoxycyclohexyl)pentan-2-one?
The InChIKey is BBORLZMSJADLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21FO2/c1-15-12-7-3-2-5-10(12)9-11(14)6-4-8-13/h10,12H,2-9H2,1H3.
What are the key properties of 5-fluoro-1-(2-methoxycyclohexyl)pentan-2-one?
5-fluoro-1-(2-methoxycyclohexyl)pentan-2-one has a molecular weight of 216.30 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(2-methoxycyclohexyl)pentan-2-one is sourced from PubChem (CID 58129617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).