4-(2-thiophen-3-ylethoxy)-3-(trifluoromethyl)benzonitrile

C14H10F3NOS — CID 115467860

IUPAC4-(2-thiophen-3-ylethoxy)-3-(trifluoromethyl)benzonitrile
SMILESN#Cc1ccc(OCCc2ccsc2)c(C(F)(F)F)c1
InChIInChI=1S/C14H10F3NOS/c15-14(16,17)12-7-11(8-18)1-2-13(12)19-5-3-10-4-6-20-9-10/h1-2,4,6-7,9H,3,5H2
InChIKeyDCWYPLLGNVPNHE-UHFFFAOYSA-N
MW297.30 g/mol
LogP4.26
Rot. Bonds4

About 4-(2-thiophen-3-ylethoxy)-3-(trifluoromethyl)benzonitrile

4-(2-thiophen-3-ylethoxy)-3-(trifluoromethyl)benzonitrile (PubChem CID 115467860) has the molecular formula C14H10F3NOS and a molecular weight of 297.30 g/mol. Its IUPAC name is 4-(2-thiophen-3-ylethoxy)-3-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name4-(2-thiophen-3-ylethoxy)-3-(trifluoromethyl)benzonitrile
PubChem CID115467860
Molecular FormulaC14H10F3NOS
Molecular Weight297.30 g/mol
Exact Mass297.04
IUPAC Name4-(2-thiophen-3-ylethoxy)-3-(trifluoromethyl)benzonitrile
SMILESN#Cc1ccc(OCCc2ccsc2)c(C(F)(F)F)c1
InChIInChI=1S/C14H10F3NOS/c15-14(16,17)12-7-11(8-18)1-2-13(12)19-5-3-10-4-6-20-9-10/h1-2,4,6-7,9H,3,5H2
InChIKeyDCWYPLLGNVPNHE-UHFFFAOYSA-N
XLogP4.26
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-bromoethoxy)-3-(trifluoromethyl)benzonitrile
CID 115467673
4-(3-bromopropoxy)-3-(trifluoromethyl)benzonitrile
CID 115467663
4-(4-sulfanylbutoxy)-3-(trifluoromethyl)benzonitrile
CID 115468395
4-(3-methylsulfonylpropoxy)-3-(trifluoromethyl)benzonitrile
CID 115467864
4-[2-(methylamino)ethoxy]-3-(trifluoromethyl)benzonitrile
CID 113315524
4-[(4-hydroxyphenyl)methoxy]-3-(trifluoromethyl)benzonitrile
CID 115467793
4-(3-oxobutoxy)-3-(trifluoromethyl)benzonitrile
CID 115468237
4-(3-methylbut-3-enoxy)-3-(trifluoromethyl)benzonitrile
CID 114472632
4-[2-(propan-2-ylamino)ethoxy]-3-(trifluoromethyl)benzonitrile
CID 115468047
3-methoxy-4-(thiophen-3-ylmethoxy)benzonitrile
CID 43646133
4-(5-oxohexoxy)-3-(trifluoromethyl)benzonitrile
CID 115468246
4-[[1-(bromomethyl)cyclopropyl]methoxy]-3-(trifluoromethyl)benzonitrile
CID 115467670

Frequently Asked Questions

What is the IUPAC name of 4-(2-thiophen-3-ylethoxy)-3-(trifluoromethyl)benzonitrile?
The IUPAC name of 4-(2-thiophen-3-ylethoxy)-3-(trifluoromethyl)benzonitrile (CID 115467860) is 4-(2-thiophen-3-ylethoxy)-3-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 4-(2-thiophen-3-ylethoxy)-3-(trifluoromethyl)benzonitrile?
The canonical SMILES for 4-(2-thiophen-3-ylethoxy)-3-(trifluoromethyl)benzonitrile is N#Cc1ccc(OCCc2ccsc2)c(C(F)(F)F)c1.
What is the InChIKey of 4-(2-thiophen-3-ylethoxy)-3-(trifluoromethyl)benzonitrile?
The InChIKey is DCWYPLLGNVPNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NOS/c15-14(16,17)12-7-11(8-18)1-2-13(12)19-5-3-10-4-6-20-9-10/h1-2,4,6-7,9H,3,5H2.
What are the key properties of 4-(2-thiophen-3-ylethoxy)-3-(trifluoromethyl)benzonitrile?
4-(2-thiophen-3-ylethoxy)-3-(trifluoromethyl)benzonitrile has a molecular weight of 297.30 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-thiophen-3-ylethoxy)-3-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 115467860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).