6-[2-chloro-4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalene

C17H14ClF3O — CID 143273839

IUPAC6-[2-chloro-4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalene
SMILESFC(F)(F)c1ccc(Oc2ccc3c(c2)CCCC3)c(Cl)c1
InChIInChI=1S/C17H14ClF3O/c18-15-10-13(17(19,20)21)6-8-16(15)22-14-7-5-11-3-1-2-4-12(11)9-14/h5-10H,1-4H2
InChIKeyZBTSHKKPUHBQQI-UHFFFAOYSA-N
MW326.75 g/mol
LogP6.03
Rot. Bonds2

About 6-[2-chloro-4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalene

6-[2-chloro-4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalene (PubChem CID 143273839) has the molecular formula C17H14ClF3O and a molecular weight of 326.75 g/mol. Its IUPAC name is 6-[2-chloro-4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-[2-chloro-4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalene
PubChem CID143273839
Molecular FormulaC17H14ClF3O
Molecular Weight326.75 g/mol
Exact Mass326.07
IUPAC Name6-[2-chloro-4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalene
SMILESFC(F)(F)c1ccc(Oc2ccc3c(c2)CCCC3)c(Cl)c1
InChIInChI=1S/C17H14ClF3O/c18-15-10-13(17(19,20)21)6-8-16(15)22-14-7-5-11-3-1-2-4-12(11)9-14/h5-10H,1-4H2
InChIKeyZBTSHKKPUHBQQI-UHFFFAOYSA-N
XLogP6.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.75
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-[2,4-bis(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalene
CID 143273848
1-(4-tert-butylphenoxy)-2-chloro-4-(trifluoromethyl)benzene
CID 70799689
2-chloro-5-[2-chloro-4-(trifluoromethyl)phenoxy]phenol
CID 15574482
4-[2-chloro-4-(trifluoromethyl)phenoxy]phenol
CID 12940613
[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 58104277
2-[(1R)-6-[2-chloro-4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-hydroxyacetic acid
CID 24984075
CID 89104061
CID 89104061
1-[3-chloro-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]-N-methylmethanamine
CID 81152018
(1R)-1-[3-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)phenyl]ethanol
CID 63540494
1-chloro-4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-methylsulfanylbenzene
CID 20524737
6-[2-chloro-4-(trifluoromethyl)phenoxy]quinoxaline
CID 14255780
1-chloro-2-(2-chloroethoxy)-4-[2-chloro-4-(trifluoromethyl)phenoxy]benzene
CID 20554022

Frequently Asked Questions

What is the IUPAC name of 6-[2-chloro-4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-[2-chloro-4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalene (CID 143273839) is 6-[2-chloro-4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6-[2-chloro-4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-[2-chloro-4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalene is FC(F)(F)c1ccc(Oc2ccc3c(c2)CCCC3)c(Cl)c1.
What is the InChIKey of 6-[2-chloro-4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalene?
The InChIKey is ZBTSHKKPUHBQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF3O/c18-15-10-13(17(19,20)21)6-8-16(15)22-14-7-5-11-3-1-2-4-12(11)9-14/h5-10H,1-4H2.
What are the key properties of 6-[2-chloro-4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalene?
6-[2-chloro-4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalene has a molecular weight of 326.75 g/mol, XLogP of 6.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-chloro-4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 143273839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).