5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-indene

C16H11ClF4O — CID 21281634

IUPAC5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-indene
SMILESFc1cc(C(F)(F)F)cc(Cl)c1Oc1ccc2c(c1)CCC2
InChIInChI=1S/C16H11ClF4O/c17-13-7-11(16(19,20)21)8-14(18)15(13)22-12-5-4-9-2-1-3-10(9)6-12/h4-8H,1-3H2
InChIKeyQSMCLCKZUAWOMM-UHFFFAOYSA-N
MW330.71 g/mol
LogP5.78
Rot. Bonds2

About 5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-indene

5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-indene (PubChem CID 21281634) has the molecular formula C16H11ClF4O and a molecular weight of 330.71 g/mol. Its IUPAC name is 5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-indene
PubChem CID21281634
Molecular FormulaC16H11ClF4O
Molecular Weight330.71 g/mol
Exact Mass330.04
IUPAC Name5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-indene
SMILESFc1cc(C(F)(F)F)cc(Cl)c1Oc1ccc2c(c1)CCC2
InChIInChI=1S/C16H11ClF4O/c17-13-7-11(16(19,20)21)8-14(18)15(13)22-12-5-4-9-2-1-3-10(9)6-12/h4-8H,1-3H2
InChIKeyQSMCLCKZUAWOMM-UHFFFAOYSA-N
XLogP5.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.71
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Chloro-1-[[3-(difluoromethyl)phenyl]methoxy]-4-(trifluoromethyl)benzene
CID 155146174
1-Chloro-2-[4-(trifluoromethyl)phenoxy]benzene
CID 91128117
1,3-Dichloro-5-[3-(3,4-dimethylphenoxy)-3,3-difluoroprop-1-en-2-yl]benzene
CID 164523735
3-Chloro-6-methoxy-9-trifluoromethyl fluorene
CID 129671682
Benzene, 2-Chloro-1-(3-methylphenoxy)-4-(trifluoromethyl)-
CID 3084880
4-(2-Chloro-4-trifluoromethylphenoxy)benzene
CID 12918171
2-Chloro-1-[4-(chloromethyl)phenoxy]-4-(trifluoromethyl)benzene
CID 13069864
3-(2'-Chloro-4'-trifluoromethylphenoxy)-benzyl chloride
CID 13090686
2-Chloro-1-[3-(trichloromethyl)phenoxy]-4-(trifluoromethyl)benzene
CID 13366053
2-Chloro-1-ethoxy-4-[5-[4-fluoro-3-(4-fluorophenoxy)phenyl]-2-methylpentan-2-yl]benzene
CID 13475434
1-[3-(Bromomethyl)phenoxy]-2-chloro-4-(trifluoromethyl)benzene
CID 13933758
2-[3-[2-Chloro-4-(trifluoromethyl)phenoxy]phenyl]-2-methylpropanenitrile
CID 13933760

Frequently Asked Questions

What is the IUPAC name of 5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-indene?
The IUPAC name of 5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-indene (CID 21281634) is 5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-indene.
What is the SMILES notation for 5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-indene?
The canonical SMILES for 5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-indene is Fc1cc(C(F)(F)F)cc(Cl)c1Oc1ccc2c(c1)CCC2.
What is the InChIKey of 5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-indene?
The InChIKey is QSMCLCKZUAWOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF4O/c17-13-7-11(16(19,20)21)8-14(18)15(13)22-12-5-4-9-2-1-3-10(9)6-12/h4-8H,1-3H2.
What are the key properties of 5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-indene?
5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-indene has a molecular weight of 330.71 g/mol, XLogP of 5.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-indene is sourced from PubChem (CID 21281634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).