6-fluoro-2-(3-methylcyclohexyl)-2,3-dihydrochromen-4-one

C16H19FO2 — CID 114672162

IUPAC6-fluoro-2-(3-methylcyclohexyl)-2,3-dihydrochromen-4-one
SMILESCC1CCCC(C2CC(=O)c3cc(F)ccc3O2)C1
InChIInChI=1S/C16H19FO2/c1-10-3-2-4-11(7-10)16-9-14(18)13-8-12(17)5-6-15(13)19-16/h5-6,8,10-11,16H,2-4,7,9H2,1H3
InChIKeyXDNWIWYMIVHRKF-UHFFFAOYSA-N
MW262.32 g/mol
LogP3.99
Rot. Bonds1

About 6-fluoro-2-(3-methylcyclohexyl)-2,3-dihydrochromen-4-one

6-fluoro-2-(3-methylcyclohexyl)-2,3-dihydrochromen-4-one (PubChem CID 114672162) has the molecular formula C16H19FO2 and a molecular weight of 262.32 g/mol. Its IUPAC name is 6-fluoro-2-(3-methylcyclohexyl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name6-fluoro-2-(3-methylcyclohexyl)-2,3-dihydrochromen-4-one
PubChem CID114672162
Molecular FormulaC16H19FO2
Molecular Weight262.32 g/mol
Exact Mass262.14
IUPAC Name6-fluoro-2-(3-methylcyclohexyl)-2,3-dihydrochromen-4-one
SMILESCC1CCCC(C2CC(=O)c3cc(F)ccc3O2)C1
InChIInChI=1S/C16H19FO2/c1-10-3-2-4-11(7-10)16-9-14(18)13-8-12(17)5-6-15(13)19-16/h5-6,8,10-11,16H,2-4,7,9H2,1H3
InChIKeyXDNWIWYMIVHRKF-UHFFFAOYSA-N
XLogP3.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(3-methylcyclohexyl)-2,3-dihydrochromen-4-one?
The IUPAC name of 6-fluoro-2-(3-methylcyclohexyl)-2,3-dihydrochromen-4-one (CID 114672162) is 6-fluoro-2-(3-methylcyclohexyl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 6-fluoro-2-(3-methylcyclohexyl)-2,3-dihydrochromen-4-one?
The canonical SMILES for 6-fluoro-2-(3-methylcyclohexyl)-2,3-dihydrochromen-4-one is CC1CCCC(C2CC(=O)c3cc(F)ccc3O2)C1.
What is the InChIKey of 6-fluoro-2-(3-methylcyclohexyl)-2,3-dihydrochromen-4-one?
The InChIKey is XDNWIWYMIVHRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FO2/c1-10-3-2-4-11(7-10)16-9-14(18)13-8-12(17)5-6-15(13)19-16/h5-6,8,10-11,16H,2-4,7,9H2,1H3.
What are the key properties of 6-fluoro-2-(3-methylcyclohexyl)-2,3-dihydrochromen-4-one?
6-fluoro-2-(3-methylcyclohexyl)-2,3-dihydrochromen-4-one has a molecular weight of 262.32 g/mol, XLogP of 3.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(3-methylcyclohexyl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 114672162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).