4-[[4-(trifluoromethyl)phenoxy]methyl]-2-[4-(trifluoromethyl)phenyl]thiophene

C19H12F6OS — CID 141057638

IUPAC4-[[4-(trifluoromethyl)phenoxy]methyl]-2-[4-(trifluoromethyl)phenyl]thiophene
SMILESFC(F)(F)c1ccc(OCc2csc(-c3ccc(C(F)(F)F)cc3)c2)cc1
InChIInChI=1S/C19H12F6OS/c20-18(21,22)14-3-1-13(2-4-14)17-9-12(11-27-17)10-26-16-7-5-15(6-8-16)19(23,24)25/h1-9,11H,10H2
InChIKeyBOFKBMGJRIQQHT-UHFFFAOYSA-N
MW402.36 g/mol
LogP7.03
Rot. Bonds4

About 4-[[4-(trifluoromethyl)phenoxy]methyl]-2-[4-(trifluoromethyl)phenyl]thiophene

4-[[4-(trifluoromethyl)phenoxy]methyl]-2-[4-(trifluoromethyl)phenyl]thiophene (PubChem CID 141057638) has the molecular formula C19H12F6OS and a molecular weight of 402.36 g/mol. Its IUPAC name is 4-[[4-(trifluoromethyl)phenoxy]methyl]-2-[4-(trifluoromethyl)phenyl]thiophene.

Molecular Properties

Compound Name4-[[4-(trifluoromethyl)phenoxy]methyl]-2-[4-(trifluoromethyl)phenyl]thiophene
PubChem CID141057638
Molecular FormulaC19H12F6OS
Molecular Weight402.36 g/mol
Exact Mass402.05
IUPAC Name4-[[4-(trifluoromethyl)phenoxy]methyl]-2-[4-(trifluoromethyl)phenyl]thiophene
SMILESFC(F)(F)c1ccc(OCc2csc(-c3ccc(C(F)(F)F)cc3)c2)cc1
InChIInChI=1S/C19H12F6OS/c20-18(21,22)14-3-1-13(2-4-14)17-9-12(11-27-17)10-26-16-7-5-15(6-8-16)19(23,24)25/h1-9,11H,10H2
InChIKeyBOFKBMGJRIQQHT-UHFFFAOYSA-N
XLogP7.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.36
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butyl-4-[[4-[4-(trifluoromethyl)phenyl]phenoxy]methyl]benzene
CID 69208043
1-tert-butyl-4-[[4-(trifluoromethyl)phenoxy]methyl]benzene
CID 171509643
4-[[4-(trifluoromethyl)phenyl]methoxy]benzoic acid
CID 43214876
4-thiophen-2-yl-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]pyrimidine
CID 3783532
2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethanamine
CID 105348964
1-ethenyl-4-[[4-(trifluoromethyl)phenoxy]methyl]benzene
CID 163602291
2-amino-5-[[4-(trifluoromethyl)phenoxy]methyl]phenol
CID 117220491
3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-5-[[3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazole
CID 142762879
N,N-diethyl-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 46065626
1-phenylmethoxy-4-(trifluoromethyl)benzene;4-(trifluoromethyl)phenol
CID 159669707
3-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-ol
CID 15059584
O-[5-[[4-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]hydroxylamine
CID 145175023

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(trifluoromethyl)phenoxy]methyl]-2-[4-(trifluoromethyl)phenyl]thiophene?
The IUPAC name of 4-[[4-(trifluoromethyl)phenoxy]methyl]-2-[4-(trifluoromethyl)phenyl]thiophene (CID 141057638) is 4-[[4-(trifluoromethyl)phenoxy]methyl]-2-[4-(trifluoromethyl)phenyl]thiophene.
What is the SMILES notation for 4-[[4-(trifluoromethyl)phenoxy]methyl]-2-[4-(trifluoromethyl)phenyl]thiophene?
The canonical SMILES for 4-[[4-(trifluoromethyl)phenoxy]methyl]-2-[4-(trifluoromethyl)phenyl]thiophene is FC(F)(F)c1ccc(OCc2csc(-c3ccc(C(F)(F)F)cc3)c2)cc1.
What is the InChIKey of 4-[[4-(trifluoromethyl)phenoxy]methyl]-2-[4-(trifluoromethyl)phenyl]thiophene?
The InChIKey is BOFKBMGJRIQQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F6OS/c20-18(21,22)14-3-1-13(2-4-14)17-9-12(11-27-17)10-26-16-7-5-15(6-8-16)19(23,24)25/h1-9,11H,10H2.
What are the key properties of 4-[[4-(trifluoromethyl)phenoxy]methyl]-2-[4-(trifluoromethyl)phenyl]thiophene?
4-[[4-(trifluoromethyl)phenoxy]methyl]-2-[4-(trifluoromethyl)phenyl]thiophene has a molecular weight of 402.36 g/mol, XLogP of 7.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(trifluoromethyl)phenoxy]methyl]-2-[4-(trifluoromethyl)phenyl]thiophene is sourced from PubChem (CID 141057638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).