2,2-difluoro-6-(4-methylcyclohexyl)-3,4-dihydrochromene

C16H20F2O — CID 162550958

IUPAC2,2-difluoro-6-(4-methylcyclohexyl)-3,4-dihydrochromene
SMILESCC1CCC(c2ccc3c(c2)CCC(F)(F)O3)CC1
InChIInChI=1S/C16H20F2O/c1-11-2-4-12(5-3-11)13-6-7-15-14(10-13)8-9-16(17,18)19-15/h6-7,10-12H,2-5,8-9H2,1H3
InChIKeyNPXQEXUOCNQPEU-UHFFFAOYSA-N
MW266.33 g/mol
LogP4.90
Rot. Bonds1

About 2,2-difluoro-6-(4-methylcyclohexyl)-3,4-dihydrochromene

2,2-difluoro-6-(4-methylcyclohexyl)-3,4-dihydrochromene (PubChem CID 162550958) has the molecular formula C16H20F2O and a molecular weight of 266.33 g/mol. Its IUPAC name is 2,2-difluoro-6-(4-methylcyclohexyl)-3,4-dihydrochromene.

Molecular Properties

Compound Name2,2-difluoro-6-(4-methylcyclohexyl)-3,4-dihydrochromene
PubChem CID162550958
Molecular FormulaC16H20F2O
Molecular Weight266.33 g/mol
Exact Mass266.15
IUPAC Name2,2-difluoro-6-(4-methylcyclohexyl)-3,4-dihydrochromene
SMILESCC1CCC(c2ccc3c(c2)CCC(F)(F)O3)CC1
InChIInChI=1S/C16H20F2O/c1-11-2-4-12(5-3-11)13-6-7-15-14(10-13)8-9-16(17,18)19-15/h6-7,10-12H,2-5,8-9H2,1H3
InChIKeyNPXQEXUOCNQPEU-UHFFFAOYSA-N
XLogP4.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,2-difluoro-6-(4-methylcyclohexyl)-3,4-dihydrochromene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-6-(4-methylcyclohexyl)-3,4-dihydrochromene?
The IUPAC name of 2,2-difluoro-6-(4-methylcyclohexyl)-3,4-dihydrochromene (CID 162550958) is 2,2-difluoro-6-(4-methylcyclohexyl)-3,4-dihydrochromene.
What is the SMILES notation for 2,2-difluoro-6-(4-methylcyclohexyl)-3,4-dihydrochromene?
The canonical SMILES for 2,2-difluoro-6-(4-methylcyclohexyl)-3,4-dihydrochromene is CC1CCC(c2ccc3c(c2)CCC(F)(F)O3)CC1.
What is the InChIKey of 2,2-difluoro-6-(4-methylcyclohexyl)-3,4-dihydrochromene?
The InChIKey is NPXQEXUOCNQPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2O/c1-11-2-4-12(5-3-11)13-6-7-15-14(10-13)8-9-16(17,18)19-15/h6-7,10-12H,2-5,8-9H2,1H3.
What are the key properties of 2,2-difluoro-6-(4-methylcyclohexyl)-3,4-dihydrochromene?
2,2-difluoro-6-(4-methylcyclohexyl)-3,4-dihydrochromene has a molecular weight of 266.33 g/mol, XLogP of 4.90, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-6-(4-methylcyclohexyl)-3,4-dihydrochromene is sourced from PubChem (CID 162550958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).