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

C18H14F6O — CID 143273848

IUPAC6-[2,4-bis(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalene
SMILESFC(F)(F)c1ccc(Oc2ccc3c(c2)CCCC3)c(C(F)(F)F)c1
InChIInChI=1S/C18H14F6O/c19-17(20,21)13-6-8-16(15(10-13)18(22,23)24)25-14-7-5-11-3-1-2-4-12(11)9-14/h5-10H,1-4H2
InChIKeyIKIBLHCMFGQJBN-UHFFFAOYSA-N
MW360.30 g/mol
LogP6.40
Rot. Bonds2

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

6-[2,4-bis(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalene (PubChem CID 143273848) has the molecular formula C18H14F6O and a molecular weight of 360.30 g/mol. Its IUPAC name is 6-[2,4-bis(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-[2,4-bis(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalene
PubChem CID143273848
Molecular FormulaC18H14F6O
Molecular Weight360.30 g/mol
Exact Mass360.09
IUPAC Name6-[2,4-bis(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalene
SMILESFC(F)(F)c1ccc(Oc2ccc3c(c2)CCCC3)c(C(F)(F)F)c1
InChIInChI=1S/C18H14F6O/c19-17(20,21)13-6-8-16(15(10-13)18(22,23)24)25-14-7-5-11-3-1-2-4-12(11)9-14/h5-10H,1-4H2
InChIKeyIKIBLHCMFGQJBN-UHFFFAOYSA-N
XLogP6.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.30
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-[2,4-bis(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-[2,4-bis(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalene (CID 143273848) is 6-[2,4-bis(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6-[2,4-bis(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-[2,4-bis(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalene is FC(F)(F)c1ccc(Oc2ccc3c(c2)CCCC3)c(C(F)(F)F)c1.
What is the InChIKey of 6-[2,4-bis(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalene?
The InChIKey is IKIBLHCMFGQJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F6O/c19-17(20,21)13-6-8-16(15(10-13)18(22,23)24)25-14-7-5-11-3-1-2-4-12(11)9-14/h5-10H,1-4H2.
What are the key properties of 6-[2,4-bis(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalene?
6-[2,4-bis(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalene has a molecular weight of 360.30 g/mol, XLogP of 6.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2,4-bis(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 143273848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).