6-(4,4-difluorocyclohexyl)-4-hydroxypyran-2-one

C11H12F2O3 — CID 142677398

IUPAC6-(4,4-difluorocyclohexyl)-4-hydroxypyran-2-one
SMILESO=c1cc(O)cc(C2CCC(F)(F)CC2)o1
InChIInChI=1S/C11H12F2O3/c12-11(13)3-1-7(2-4-11)9-5-8(14)6-10(15)16-9/h5-7,14H,1-4H2
InChIKeyUFDCMPZUOSAEAM-UHFFFAOYSA-N
MW230.21 g/mol
LogP2.64
Rot. Bonds1

About 6-(4,4-difluorocyclohexyl)-4-hydroxypyran-2-one

6-(4,4-difluorocyclohexyl)-4-hydroxypyran-2-one (PubChem CID 142677398) has the molecular formula C11H12F2O3 and a molecular weight of 230.21 g/mol. Its IUPAC name is 6-(4,4-difluorocyclohexyl)-4-hydroxypyran-2-one.

Molecular Properties

Compound Name6-(4,4-difluorocyclohexyl)-4-hydroxypyran-2-one
PubChem CID142677398
Molecular FormulaC11H12F2O3
Molecular Weight230.21 g/mol
Exact Mass230.08
IUPAC Name6-(4,4-difluorocyclohexyl)-4-hydroxypyran-2-one
SMILESO=c1cc(O)cc(C2CCC(F)(F)CC2)o1
InChIInChI=1S/C11H12F2O3/c12-11(13)3-1-7(2-4-11)9-5-8(14)6-10(15)16-9/h5-7,14H,1-4H2
InChIKeyUFDCMPZUOSAEAM-UHFFFAOYSA-N
XLogP2.64
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.21
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4,4-difluorocyclohexyl)-4-hydroxypyran-2-one?
The IUPAC name of 6-(4,4-difluorocyclohexyl)-4-hydroxypyran-2-one (CID 142677398) is 6-(4,4-difluorocyclohexyl)-4-hydroxypyran-2-one.
What is the SMILES notation for 6-(4,4-difluorocyclohexyl)-4-hydroxypyran-2-one?
The canonical SMILES for 6-(4,4-difluorocyclohexyl)-4-hydroxypyran-2-one is O=c1cc(O)cc(C2CCC(F)(F)CC2)o1.
What is the InChIKey of 6-(4,4-difluorocyclohexyl)-4-hydroxypyran-2-one?
The InChIKey is UFDCMPZUOSAEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O3/c12-11(13)3-1-7(2-4-11)9-5-8(14)6-10(15)16-9/h5-7,14H,1-4H2.
What are the key properties of 6-(4,4-difluorocyclohexyl)-4-hydroxypyran-2-one?
6-(4,4-difluorocyclohexyl)-4-hydroxypyran-2-one has a molecular weight of 230.21 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,4-difluorocyclohexyl)-4-hydroxypyran-2-one is sourced from PubChem (CID 142677398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).