7-(2,2,2-trifluoroethoxy)-1,2-dihydronaphthalene

C12H11F3O — CID 150898960

IUPAC7-(2,2,2-trifluoroethoxy)-1,2-dihydronaphthalene
SMILESFC(F)(F)COc1ccc2c(c1)CCC=C2
InChIInChI=1S/C12H11F3O/c13-12(14,15)8-16-11-6-5-9-3-1-2-4-10(9)7-11/h1,3,5-7H,2,4,8H2
InChIKeyKZPKKCJBUZXXAY-UHFFFAOYSA-N
MW228.21 g/mol
LogP3.59
Rot. Bonds2

About 7-(2,2,2-trifluoroethoxy)-1,2-dihydronaphthalene

7-(2,2,2-trifluoroethoxy)-1,2-dihydronaphthalene (PubChem CID 150898960) has the molecular formula C12H11F3O and a molecular weight of 228.21 g/mol. Its IUPAC name is 7-(2,2,2-trifluoroethoxy)-1,2-dihydronaphthalene.

Molecular Properties

Compound Name7-(2,2,2-trifluoroethoxy)-1,2-dihydronaphthalene
PubChem CID150898960
Molecular FormulaC12H11F3O
Molecular Weight228.21 g/mol
Exact Mass228.08
IUPAC Name7-(2,2,2-trifluoroethoxy)-1,2-dihydronaphthalene
SMILESFC(F)(F)COc1ccc2c(c1)CCC=C2
InChIInChI=1S/C12H11F3O/c13-12(14,15)8-16-11-6-5-9-3-1-2-4-10(9)7-11/h1,3,5-7H,2,4,8H2
InChIKeyKZPKKCJBUZXXAY-UHFFFAOYSA-N
XLogP3.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-[(2-methylpropan-2-yl)oxy]-1,2-dihydronaphthalene
CID 135290511
3-methyl-7-(2,2,2-trifluoroethoxy)-1,2,4,5-tetrahydro-3-benzazepine
CID 59257929
7-methyl-1,2-dihydronaphthalene
CID 123252357
2-(2,2,2-trifluoroethoxy)naphthalene
CID 21269180
(2S)-2-methyl-7-(4,4,4-trifluorobutoxy)-1,2-dihydronaphthalene
CID 155755695
2,2,2-trifluoroacetic acid;5-(2,2,2-trifluoroethoxy)-2,3-dihydro-1H-isoindole
CID 86607009
(1R)-7-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 114091185
acetylene;1,4-bis(2,2,2-trifluoroethoxy)benzene;ethane
CID 143388365
6-propoxy-1H-indene
CID 19751756
2-iodo-1-methyl-4-(2,2,2-trifluoroethoxy)benzene
CID 156598259
2-bromo-1-methyl-4-(2,2,2-trifluoroethoxy)benzene
CID 130995615
5-[3-(2,2,2-trifluoroethoxy)propoxy]-2,3-dihydro-1H-inden-1-ol
CID 107684669

Frequently Asked Questions

What is the IUPAC name of 7-(2,2,2-trifluoroethoxy)-1,2-dihydronaphthalene?
The IUPAC name of 7-(2,2,2-trifluoroethoxy)-1,2-dihydronaphthalene (CID 150898960) is 7-(2,2,2-trifluoroethoxy)-1,2-dihydronaphthalene.
What is the SMILES notation for 7-(2,2,2-trifluoroethoxy)-1,2-dihydronaphthalene?
The canonical SMILES for 7-(2,2,2-trifluoroethoxy)-1,2-dihydronaphthalene is FC(F)(F)COc1ccc2c(c1)CCC=C2.
What is the InChIKey of 7-(2,2,2-trifluoroethoxy)-1,2-dihydronaphthalene?
The InChIKey is KZPKKCJBUZXXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3O/c13-12(14,15)8-16-11-6-5-9-3-1-2-4-10(9)7-11/h1,3,5-7H,2,4,8H2.
What are the key properties of 7-(2,2,2-trifluoroethoxy)-1,2-dihydronaphthalene?
7-(2,2,2-trifluoroethoxy)-1,2-dihydronaphthalene has a molecular weight of 228.21 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,2,2-trifluoroethoxy)-1,2-dihydronaphthalene is sourced from PubChem (CID 150898960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).