ethane;4,5,6-trifluoro-3,7-dimethyl-2,9-dihydro-1H-xanthene

C17H19F3O — CID 144733836

IUPACethane;4,5,6-trifluoro-3,7-dimethyl-2,9-dihydro-1H-xanthene
SMILESCC.CC1=C(F)C2=C(CC1)Cc1cc(C)c(F)c(F)c1O2
InChIInChI=1S/C15H13F3O.C2H6/c1-7-3-4-9-6-10-5-8(2)11(16)13(18)15(10)19-14(9)12(7)17;1-2/h5H,3-4,6H2,1-2H3;1-2H3
InChIKeyYIAVOLLDRMVZAB-UHFFFAOYSA-N
MW296.33 g/mol
LogP5.53
Rot. Bonds

About ethane;4,5,6-trifluoro-3,7-dimethyl-2,9-dihydro-1H-xanthene

ethane;4,5,6-trifluoro-3,7-dimethyl-2,9-dihydro-1H-xanthene (PubChem CID 144733836) has the molecular formula C17H19F3O and a molecular weight of 296.33 g/mol. Its IUPAC name is ethane;4,5,6-trifluoro-3,7-dimethyl-2,9-dihydro-1H-xanthene.

Molecular Properties

Compound Nameethane;4,5,6-trifluoro-3,7-dimethyl-2,9-dihydro-1H-xanthene
PubChem CID144733836
Molecular FormulaC17H19F3O
Molecular Weight296.33 g/mol
Exact Mass296.14
IUPAC Nameethane;4,5,6-trifluoro-3,7-dimethyl-2,9-dihydro-1H-xanthene
SMILESCC.CC1=C(F)C2=C(CC1)Cc1cc(C)c(F)c(F)c1O2
InChIInChI=1S/C15H13F3O.C2H6/c1-7-3-4-9-6-10-5-8(2)11(16)13(18)15(10)19-14(9)12(7)17;1-2/h5H,3-4,6H2,1-2H3;1-2H3
InChIKeyYIAVOLLDRMVZAB-UHFFFAOYSA-N
XLogP5.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.33
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4,6-difluoro-3,7-dimethyldibenzofuran;7,8-difluoro-2,6-dimethyl-3,4-dihydro-2H-chromene
CID 161217958
4,6-difluoro-3,7-dimethyldibenzofuran;bis(7,8-difluoro-2,6-dimethyl-3,4-dihydro-2H-chromene)
CID 158886746
8-chloro-7-fluoro-2,6-dimethyl-3,4-dihydro-2H-chromene
CID 59795393
3,3,4,5-tetrafluoro-2,6-dimethyl-1,2-dihydroindene
CID 59340809
(2R)-7,8-difluoro-2,6-dimethyl-1,2,3,4-tetrahydronaphthalene
CID 146513839
7-fluoro-6,8-dimethyl-1,2,4,5-tetrahydro-3-benzoxepin-5-ol
CID 65297172
(1,6,7-trifluoro-2,5-dimethyl-2,3-dihydroinden-1-yl)phosphane
CID 170248102
7-fluoro-N,6,8-trimethyl-1,2,4,5-tetrahydro-3-benzoxepin-5-amine
CID 65297170
4,6-difluoro-3,7-dimethyldibenzofuran;7,8-difluoro-2,6-dimethyl-3,4-dihydro-2H-chromene;1,8-difluoro-2,7-dimethylphenanthrene;3,4,5,6-tetrafluoro-2,7-dimethylphenanthrene
CID 158318873
7,8-difluoro-6-methyl-3,4-dihydro-1H-quinolin-2-one
CID 166091425
4,5-dimethyl-2,9-dihydro-1H-xanthene
CID 163641036
N-[2-(3,4-difluorophenyl)-6,8-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl]-2-(1-fluorocyclopropyl)acetamide
CID 177096222

Frequently Asked Questions

What is the IUPAC name of ethane;4,5,6-trifluoro-3,7-dimethyl-2,9-dihydro-1H-xanthene?
The IUPAC name of ethane;4,5,6-trifluoro-3,7-dimethyl-2,9-dihydro-1H-xanthene (CID 144733836) is ethane;4,5,6-trifluoro-3,7-dimethyl-2,9-dihydro-1H-xanthene.
What is the SMILES notation for ethane;4,5,6-trifluoro-3,7-dimethyl-2,9-dihydro-1H-xanthene?
The canonical SMILES for ethane;4,5,6-trifluoro-3,7-dimethyl-2,9-dihydro-1H-xanthene is CC.CC1=C(F)C2=C(CC1)Cc1cc(C)c(F)c(F)c1O2.
What is the InChIKey of ethane;4,5,6-trifluoro-3,7-dimethyl-2,9-dihydro-1H-xanthene?
The InChIKey is YIAVOLLDRMVZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3O.C2H6/c1-7-3-4-9-6-10-5-8(2)11(16)13(18)15(10)19-14(9)12(7)17;1-2/h5H,3-4,6H2,1-2H3;1-2H3.
What are the key properties of ethane;4,5,6-trifluoro-3,7-dimethyl-2,9-dihydro-1H-xanthene?
ethane;4,5,6-trifluoro-3,7-dimethyl-2,9-dihydro-1H-xanthene has a molecular weight of 296.33 g/mol, XLogP of 5.53, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4,5,6-trifluoro-3,7-dimethyl-2,9-dihydro-1H-xanthene is sourced from PubChem (CID 144733836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).