2-[(3-bromothiophen-2-yl)methyl]-3-(4-fluorophenyl)propan-1-ol

C14H14BrFOS — CID 66058825

IUPAC2-[(3-bromothiophen-2-yl)methyl]-3-(4-fluorophenyl)propan-1-ol
SMILESOCC(Cc1ccc(F)cc1)Cc1sccc1Br
InChIInChI=1S/C14H14BrFOS/c15-13-5-6-18-14(13)8-11(9-17)7-10-1-3-12(16)4-2-10/h1-6,11,17H,7-9H2
InChIKeyFCHNEDHIFLYLAH-UHFFFAOYSA-N
MW329.23 g/mol
LogP4.04
Rot. Bonds5

About 2-[(3-bromothiophen-2-yl)methyl]-3-(4-fluorophenyl)propan-1-ol

2-[(3-bromothiophen-2-yl)methyl]-3-(4-fluorophenyl)propan-1-ol (PubChem CID 66058825) has the molecular formula C14H14BrFOS and a molecular weight of 329.23 g/mol. Its IUPAC name is 2-[(3-bromothiophen-2-yl)methyl]-3-(4-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name2-[(3-bromothiophen-2-yl)methyl]-3-(4-fluorophenyl)propan-1-ol
PubChem CID66058825
Molecular FormulaC14H14BrFOS
Molecular Weight329.23 g/mol
Exact Mass327.99
IUPAC Name2-[(3-bromothiophen-2-yl)methyl]-3-(4-fluorophenyl)propan-1-ol
SMILESOCC(Cc1ccc(F)cc1)Cc1sccc1Br
InChIInChI=1S/C14H14BrFOS/c15-13-5-6-18-14(13)8-11(9-17)7-10-1-3-12(16)4-2-10/h1-6,11,17H,7-9H2
InChIKeyFCHNEDHIFLYLAH-UHFFFAOYSA-N
XLogP4.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromothiophen-2-yl)methyl]-3-(4-fluorophenyl)propan-1-ol?
The IUPAC name of 2-[(3-bromothiophen-2-yl)methyl]-3-(4-fluorophenyl)propan-1-ol (CID 66058825) is 2-[(3-bromothiophen-2-yl)methyl]-3-(4-fluorophenyl)propan-1-ol.
What is the SMILES notation for 2-[(3-bromothiophen-2-yl)methyl]-3-(4-fluorophenyl)propan-1-ol?
The canonical SMILES for 2-[(3-bromothiophen-2-yl)methyl]-3-(4-fluorophenyl)propan-1-ol is OCC(Cc1ccc(F)cc1)Cc1sccc1Br.
What is the InChIKey of 2-[(3-bromothiophen-2-yl)methyl]-3-(4-fluorophenyl)propan-1-ol?
The InChIKey is FCHNEDHIFLYLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFOS/c15-13-5-6-18-14(13)8-11(9-17)7-10-1-3-12(16)4-2-10/h1-6,11,17H,7-9H2.
What are the key properties of 2-[(3-bromothiophen-2-yl)methyl]-3-(4-fluorophenyl)propan-1-ol?
2-[(3-bromothiophen-2-yl)methyl]-3-(4-fluorophenyl)propan-1-ol has a molecular weight of 329.23 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromothiophen-2-yl)methyl]-3-(4-fluorophenyl)propan-1-ol is sourced from PubChem (CID 66058825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).