4-(2-chloro-6-fluorophenyl)-2-[4-(2-fluoroethoxy)phenyl]-3-methylthiophene

C19H15ClF2OS — CID 91557931

IUPAC4-(2-chloro-6-fluorophenyl)-2-[4-(2-fluoroethoxy)phenyl]-3-methylthiophene
SMILESCc1c(-c2c(F)cccc2Cl)csc1-c1ccc(OCCF)cc1
InChIInChI=1S/C19H15ClF2OS/c1-12-15(18-16(20)3-2-4-17(18)22)11-24-19(12)13-5-7-14(8-6-13)23-10-9-21/h2-8,11H,9-10H2,1H3
InChIKeyMRFDGJJRMRDOKF-UHFFFAOYSA-N
MW364.84 g/mol
LogP6.53
Rot. Bonds5

About 4-(2-chloro-6-fluorophenyl)-2-[4-(2-fluoroethoxy)phenyl]-3-methylthiophene

4-(2-chloro-6-fluorophenyl)-2-[4-(2-fluoroethoxy)phenyl]-3-methylthiophene (PubChem CID 91557931) has the molecular formula C19H15ClF2OS and a molecular weight of 364.84 g/mol. Its IUPAC name is 4-(2-chloro-6-fluorophenyl)-2-[4-(2-fluoroethoxy)phenyl]-3-methylthiophene.

Molecular Properties

Compound Name4-(2-chloro-6-fluorophenyl)-2-[4-(2-fluoroethoxy)phenyl]-3-methylthiophene
PubChem CID91557931
Molecular FormulaC19H15ClF2OS
Molecular Weight364.84 g/mol
Exact Mass364.05
IUPAC Name4-(2-chloro-6-fluorophenyl)-2-[4-(2-fluoroethoxy)phenyl]-3-methylthiophene
SMILESCc1c(-c2c(F)cccc2Cl)csc1-c1ccc(OCCF)cc1
InChIInChI=1S/C19H15ClF2OS/c1-12-15(18-16(20)3-2-4-17(18)22)11-24-19(12)13-5-7-14(8-6-13)23-10-9-21/h2-8,11H,9-10H2,1H3
InChIKeyMRFDGJJRMRDOKF-UHFFFAOYSA-N
XLogP6.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.84
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6-fluorophenyl)-2-[4-(2-fluoroethoxy)phenyl]-3-methylthiophene?
The IUPAC name of 4-(2-chloro-6-fluorophenyl)-2-[4-(2-fluoroethoxy)phenyl]-3-methylthiophene (CID 91557931) is 4-(2-chloro-6-fluorophenyl)-2-[4-(2-fluoroethoxy)phenyl]-3-methylthiophene.
What is the SMILES notation for 4-(2-chloro-6-fluorophenyl)-2-[4-(2-fluoroethoxy)phenyl]-3-methylthiophene?
The canonical SMILES for 4-(2-chloro-6-fluorophenyl)-2-[4-(2-fluoroethoxy)phenyl]-3-methylthiophene is Cc1c(-c2c(F)cccc2Cl)csc1-c1ccc(OCCF)cc1.
What is the InChIKey of 4-(2-chloro-6-fluorophenyl)-2-[4-(2-fluoroethoxy)phenyl]-3-methylthiophene?
The InChIKey is MRFDGJJRMRDOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF2OS/c1-12-15(18-16(20)3-2-4-17(18)22)11-24-19(12)13-5-7-14(8-6-13)23-10-9-21/h2-8,11H,9-10H2,1H3.
What are the key properties of 4-(2-chloro-6-fluorophenyl)-2-[4-(2-fluoroethoxy)phenyl]-3-methylthiophene?
4-(2-chloro-6-fluorophenyl)-2-[4-(2-fluoroethoxy)phenyl]-3-methylthiophene has a molecular weight of 364.84 g/mol, XLogP of 6.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-6-fluorophenyl)-2-[4-(2-fluoroethoxy)phenyl]-3-methylthiophene is sourced from PubChem (CID 91557931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).