3-(4-fluorophenoxy)-4-[4-(trifluoromethyl)phenyl]thiophene

C17H10F4OS — CID 56991558

IUPAC3-(4-fluorophenoxy)-4-[4-(trifluoromethyl)phenyl]thiophene
SMILESFc1ccc(Oc2cscc2-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C17H10F4OS/c18-13-5-7-14(8-6-13)22-16-10-23-9-15(16)11-1-3-12(4-2-11)17(19,20)21/h1-10H
InChIKeyAMWCMRTVDLIVHP-UHFFFAOYSA-N
MW338.33 g/mol
LogP6.37
Rot. Bonds3

About 3-(4-fluorophenoxy)-4-[4-(trifluoromethyl)phenyl]thiophene

3-(4-fluorophenoxy)-4-[4-(trifluoromethyl)phenyl]thiophene (PubChem CID 56991558) has the molecular formula C17H10F4OS and a molecular weight of 338.33 g/mol. Its IUPAC name is 3-(4-fluorophenoxy)-4-[4-(trifluoromethyl)phenyl]thiophene.

Molecular Properties

Compound Name3-(4-fluorophenoxy)-4-[4-(trifluoromethyl)phenyl]thiophene
PubChem CID56991558
Molecular FormulaC17H10F4OS
Molecular Weight338.33 g/mol
Exact Mass338.04
IUPAC Name3-(4-fluorophenoxy)-4-[4-(trifluoromethyl)phenyl]thiophene
SMILESFc1ccc(Oc2cscc2-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C17H10F4OS/c18-13-5-7-14(8-6-13)22-16-10-23-9-15(16)11-1-3-12(4-2-11)17(19,20)21/h1-10H
InChIKeyAMWCMRTVDLIVHP-UHFFFAOYSA-N
XLogP6.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.33
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

diethyl-[4-[2-[4-(trifluoromethyl)phenoxy]phenyl]phenyl]phosphane
CID 170094465
ethane;4-[2-[4-(trifluoromethyl)phenoxy]phenyl]benzoic acid
CID 169108803
1-methoxy-2-[4-(trifluoromethyl)phenoxy]benzene
CID 76546119
3-(2-chlorophenyl)-4-[4-(trifluoromethyl)phenyl]thiophene
CID 102358532
2-[2-[4-(trifluoromethyl)phenoxy]phenyl]benzene-1,4-diol
CID 174418680
3-[4-(trifluoromethyl)phenoxy]-1-benzothiophene
CID 177468045
2-[2-amino-3-[4-(trifluoromethyl)phenyl]phenoxy]-6-[4-(trifluoromethyl)phenyl]aniline
CID 57275612
7-[4-(trifluoromethyl)phenoxy]-1H-indole
CID 139371868
1-ethynyl-2-[4-(trifluoromethyl)phenoxy]benzene
CID 155883074
1-fluoro-3-methyl-5-[4-(trifluoromethyl)phenoxy]benzene
CID 176691111
1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-[4-(trifluoromethyl)phenoxy]benzene
CID 151658047
3-chloro-6-(4-fluorophenyl)-4-[4-(trifluoromethyl)phenyl]pyridazine
CID 142779110

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenoxy)-4-[4-(trifluoromethyl)phenyl]thiophene?
The IUPAC name of 3-(4-fluorophenoxy)-4-[4-(trifluoromethyl)phenyl]thiophene (CID 56991558) is 3-(4-fluorophenoxy)-4-[4-(trifluoromethyl)phenyl]thiophene.
What is the SMILES notation for 3-(4-fluorophenoxy)-4-[4-(trifluoromethyl)phenyl]thiophene?
The canonical SMILES for 3-(4-fluorophenoxy)-4-[4-(trifluoromethyl)phenyl]thiophene is Fc1ccc(Oc2cscc2-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 3-(4-fluorophenoxy)-4-[4-(trifluoromethyl)phenyl]thiophene?
The InChIKey is AMWCMRTVDLIVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F4OS/c18-13-5-7-14(8-6-13)22-16-10-23-9-15(16)11-1-3-12(4-2-11)17(19,20)21/h1-10H.
What are the key properties of 3-(4-fluorophenoxy)-4-[4-(trifluoromethyl)phenyl]thiophene?
3-(4-fluorophenoxy)-4-[4-(trifluoromethyl)phenyl]thiophene has a molecular weight of 338.33 g/mol, XLogP of 6.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenoxy)-4-[4-(trifluoromethyl)phenyl]thiophene is sourced from PubChem (CID 56991558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).