4-[5-[4-(2-fluoroethylamino)phenyl]thiophen-2-yl]phenol

C18H16FNOS — CID 11623805

IUPAC4-[5-[4-(2-fluoroethylamino)phenyl]thiophen-2-yl]phenol
SMILESOc1ccc(-c2ccc(-c3ccc(NCCF)cc3)s2)cc1
InChIInChI=1S/C18H16FNOS/c19-11-12-20-15-5-1-13(2-6-15)17-9-10-18(22-17)14-3-7-16(21)8-4-14/h1-10,20-21H,11-12H2
InChIKeyIURBGMBXCPTTCR-UHFFFAOYSA-N
MW313.40 g/mol
LogP5.17
Rot. Bonds5

About 4-[5-[4-(2-fluoroethylamino)phenyl]thiophen-2-yl]phenol

4-[5-[4-(2-fluoroethylamino)phenyl]thiophen-2-yl]phenol (PubChem CID 11623805) has the molecular formula C18H16FNOS and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-[5-[4-(2-fluoroethylamino)phenyl]thiophen-2-yl]phenol.

Molecular Properties

Compound Name4-[5-[4-(2-fluoroethylamino)phenyl]thiophen-2-yl]phenol
PubChem CID11623805
Molecular FormulaC18H16FNOS
Molecular Weight313.40 g/mol
Exact Mass313.09
IUPAC Name4-[5-[4-(2-fluoroethylamino)phenyl]thiophen-2-yl]phenol
SMILESOc1ccc(-c2ccc(-c3ccc(NCCF)cc3)s2)cc1
InChIInChI=1S/C18H16FNOS/c19-11-12-20-15-5-1-13(2-6-15)17-9-10-18(22-17)14-3-7-16(21)8-4-14/h1-10,20-21H,11-12H2
InChIKeyIURBGMBXCPTTCR-UHFFFAOYSA-N
XLogP5.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.40
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-(2-fluoroethylamino)phenyl]thiophen-2-yl]phenol?
The IUPAC name of 4-[5-[4-(2-fluoroethylamino)phenyl]thiophen-2-yl]phenol (CID 11623805) is 4-[5-[4-(2-fluoroethylamino)phenyl]thiophen-2-yl]phenol.
What is the SMILES notation for 4-[5-[4-(2-fluoroethylamino)phenyl]thiophen-2-yl]phenol?
The canonical SMILES for 4-[5-[4-(2-fluoroethylamino)phenyl]thiophen-2-yl]phenol is Oc1ccc(-c2ccc(-c3ccc(NCCF)cc3)s2)cc1.
What is the InChIKey of 4-[5-[4-(2-fluoroethylamino)phenyl]thiophen-2-yl]phenol?
The InChIKey is IURBGMBXCPTTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNOS/c19-11-12-20-15-5-1-13(2-6-15)17-9-10-18(22-17)14-3-7-16(21)8-4-14/h1-10,20-21H,11-12H2.
What are the key properties of 4-[5-[4-(2-fluoroethylamino)phenyl]thiophen-2-yl]phenol?
4-[5-[4-(2-fluoroethylamino)phenyl]thiophen-2-yl]phenol has a molecular weight of 313.40 g/mol, XLogP of 5.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[4-(2-fluoroethylamino)phenyl]thiophen-2-yl]phenol is sourced from PubChem (CID 11623805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).