6,6-difluoro-5-methyl-2-(4-methylcyclohexyl)-2,3-dihydropyran

C13H20F2O — CID 54327007

IUPAC6,6-difluoro-5-methyl-2-(4-methylcyclohexyl)-2,3-dihydropyran
SMILESCC1=CCC(C2CCC(C)CC2)OC1(F)F
InChIInChI=1S/C13H20F2O/c1-9-3-6-11(7-4-9)12-8-5-10(2)13(14,15)16-12/h5,9,11-12H,3-4,6-8H2,1-2H3
InChIKeySVQRGJRFAPXGNL-UHFFFAOYSA-N
MW230.30 g/mol
LogP4.14
Rot. Bonds1

About 6,6-difluoro-5-methyl-2-(4-methylcyclohexyl)-2,3-dihydropyran

6,6-difluoro-5-methyl-2-(4-methylcyclohexyl)-2,3-dihydropyran (PubChem CID 54327007) has the molecular formula C13H20F2O and a molecular weight of 230.30 g/mol. Its IUPAC name is 6,6-difluoro-5-methyl-2-(4-methylcyclohexyl)-2,3-dihydropyran.

Molecular Properties

Compound Name6,6-difluoro-5-methyl-2-(4-methylcyclohexyl)-2,3-dihydropyran
PubChem CID54327007
Molecular FormulaC13H20F2O
Molecular Weight230.30 g/mol
Exact Mass230.15
IUPAC Name6,6-difluoro-5-methyl-2-(4-methylcyclohexyl)-2,3-dihydropyran
SMILESCC1=CCC(C2CCC(C)CC2)OC1(F)F
InChIInChI=1S/C13H20F2O/c1-9-3-6-11(7-4-9)12-8-5-10(2)13(14,15)16-12/h5,9,11-12H,3-4,6-8H2,1-2H3
InChIKeySVQRGJRFAPXGNL-UHFFFAOYSA-N
XLogP4.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-5-methyl-2-(4-methylcyclohexyl)-2,3-dihydropyran?
The IUPAC name of 6,6-difluoro-5-methyl-2-(4-methylcyclohexyl)-2,3-dihydropyran (CID 54327007) is 6,6-difluoro-5-methyl-2-(4-methylcyclohexyl)-2,3-dihydropyran.
What is the SMILES notation for 6,6-difluoro-5-methyl-2-(4-methylcyclohexyl)-2,3-dihydropyran?
The canonical SMILES for 6,6-difluoro-5-methyl-2-(4-methylcyclohexyl)-2,3-dihydropyran is CC1=CCC(C2CCC(C)CC2)OC1(F)F.
What is the InChIKey of 6,6-difluoro-5-methyl-2-(4-methylcyclohexyl)-2,3-dihydropyran?
The InChIKey is SVQRGJRFAPXGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2O/c1-9-3-6-11(7-4-9)12-8-5-10(2)13(14,15)16-12/h5,9,11-12H,3-4,6-8H2,1-2H3.
What are the key properties of 6,6-difluoro-5-methyl-2-(4-methylcyclohexyl)-2,3-dihydropyran?
6,6-difluoro-5-methyl-2-(4-methylcyclohexyl)-2,3-dihydropyran has a molecular weight of 230.30 g/mol, XLogP of 4.14, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-5-methyl-2-(4-methylcyclohexyl)-2,3-dihydropyran is sourced from PubChem (CID 54327007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).