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

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Related Compounds

2,2-difluoro-3,4-dihydrochromen-6-amine
CID 105441454
2,2-difluoro-3,4-dihydrochromene
CID 14418574
2,2,8-trifluoro-6-(4-heptylcyclohexyl)-3,4-dihydrochromene
CID 58660410
1-[2-fluoro-4-(4-methylcyclohexyl)phenyl]-4-methylbicyclo[2.2.2]octane
CID 137446074
6,6-difluoro-5-methyl-2-[4-(4-methylcyclohexyl)phenyl]-2,3-dihydropyran
CID 54300501
5-cyclohexyl-2,3-dihydro-1-benzofuran
CID 150562442
2,2,8-trifluoro-6-(4-methyl-1,3-dioxetan-2-yl)-3,4-dihydrochromene
CID 162550995
2-fluoro-4-(4-methylcyclohexyl)-1-(trifluoromethoxy)benzene
CID 20591351
1-fluoro-4-(4-methylcyclohexyl)benzene;molecular hydrogen
CID 158127728
1-fluoro-2-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
CID 23574055
2-methyl-5-(4-methylcyclohexyl)aniline
CID 22895075
3-ethyl-4,6,6-trifluoro-8-(4-methylcyclohexyl)benzo[c]chromene
CID 141494647

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).