3,3-difluoro-4-methyl-5-(trifluoromethyl)-2,4-dihydrochromene;ethane

C13H15F5O — CID 156843641

IUPAC3,3-difluoro-4-methyl-5-(trifluoromethyl)-2,4-dihydrochromene;ethane
SMILESCC.CC1c2c(cccc2C(F)(F)F)OCC1(F)F
InChIInChI=1S/C11H9F5O.C2H6/c1-6-9-7(11(14,15)16)3-2-4-8(9)17-5-10(6,12)13;1-2/h2-4,6H,5H2,1H3;1-2H3
InChIKeyITCUOAMROHUIBT-UHFFFAOYSA-N
MW282.25 g/mol
LogP4.86
Rot. Bonds

About 3,3-difluoro-4-methyl-5-(trifluoromethyl)-2,4-dihydrochromene;ethane

3,3-difluoro-4-methyl-5-(trifluoromethyl)-2,4-dihydrochromene;ethane (PubChem CID 156843641) has the molecular formula C13H15F5O and a molecular weight of 282.25 g/mol. Its IUPAC name is 3,3-difluoro-4-methyl-5-(trifluoromethyl)-2,4-dihydrochromene;ethane.

Molecular Properties

Compound Name3,3-difluoro-4-methyl-5-(trifluoromethyl)-2,4-dihydrochromene;ethane
PubChem CID156843641
Molecular FormulaC13H15F5O
Molecular Weight282.25 g/mol
Exact Mass282.10
IUPAC Name3,3-difluoro-4-methyl-5-(trifluoromethyl)-2,4-dihydrochromene;ethane
SMILESCC.CC1c2c(cccc2C(F)(F)F)OCC1(F)F
InChIInChI=1S/C11H9F5O.C2H6/c1-6-9-7(11(14,15)16)3-2-4-8(9)17-5-10(6,12)13;1-2/h2-4,6H,5H2,1H3;1-2H3
InChIKeyITCUOAMROHUIBT-UHFFFAOYSA-N
XLogP4.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-difluoro-4-methyl-2,4-dihydrochromene
CID 156843702
2-methyl-2-[4-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]propanoic acid
CID 117199246
2,2-dimethyl-7-(trifluoromethyl)-1a,7b-dihydrooxireno[2,3-c]chromene
CID 88510513
3-[4-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]propan-1-amine
CID 117199241
(4S)-4-[2-fluoro-6-(trifluoromethyl)phenyl]-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride
CID 171188306
1-methyl-8-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene
CID 156843578
(4R)-4-[2-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethyl-1,3-oxazinan-2-one
CID 171186841
3-[2,6-bis(trifluoromethyl)phenyl]azetidine;hydrochloride
CID 154791421
3,3-difluoro-2H-1,4-benzodioxine
CID 58599177
2-[2-methoxy-6-(trifluoromethyl)phenyl]-1,3-dioxolane
CID 171367695
3,3-difluoro-7-(trifluoromethyl)-2,4-dihydrochromene-4-carbaldehyde
CID 174668791
(4S)-5,5-difluoro-4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-oxazinan-2-one;hydrochloride
CID 171186964

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-4-methyl-5-(trifluoromethyl)-2,4-dihydrochromene;ethane?
The IUPAC name of 3,3-difluoro-4-methyl-5-(trifluoromethyl)-2,4-dihydrochromene;ethane (CID 156843641) is 3,3-difluoro-4-methyl-5-(trifluoromethyl)-2,4-dihydrochromene;ethane.
What is the SMILES notation for 3,3-difluoro-4-methyl-5-(trifluoromethyl)-2,4-dihydrochromene;ethane?
The canonical SMILES for 3,3-difluoro-4-methyl-5-(trifluoromethyl)-2,4-dihydrochromene;ethane is CC.CC1c2c(cccc2C(F)(F)F)OCC1(F)F.
What is the InChIKey of 3,3-difluoro-4-methyl-5-(trifluoromethyl)-2,4-dihydrochromene;ethane?
The InChIKey is ITCUOAMROHUIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F5O.C2H6/c1-6-9-7(11(14,15)16)3-2-4-8(9)17-5-10(6,12)13;1-2/h2-4,6H,5H2,1H3;1-2H3.
What are the key properties of 3,3-difluoro-4-methyl-5-(trifluoromethyl)-2,4-dihydrochromene;ethane?
3,3-difluoro-4-methyl-5-(trifluoromethyl)-2,4-dihydrochromene;ethane has a molecular weight of 282.25 g/mol, XLogP of 4.86, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4-methyl-5-(trifluoromethyl)-2,4-dihydrochromene;ethane is sourced from PubChem (CID 156843641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).