1-(5-bromo-2-fluorophenyl)-2-(5-ethylthiophen-2-yl)ethanol

C14H14BrFOS — CID 65147995

IUPAC1-(5-bromo-2-fluorophenyl)-2-(5-ethylthiophen-2-yl)ethanol
SMILESCCc1ccc(CC(O)c2cc(Br)ccc2F)s1
InChIInChI=1S/C14H14BrFOS/c1-2-10-4-5-11(18-10)8-14(17)12-7-9(15)3-6-13(12)16/h3-7,14,17H,2,8H2,1H3
InChIKeyDJCFKCMLLQBNJR-UHFFFAOYSA-N
MW329.23 g/mol
LogP4.49
Rot. Bonds4

About 1-(5-bromo-2-fluorophenyl)-2-(5-ethylthiophen-2-yl)ethanol

1-(5-bromo-2-fluorophenyl)-2-(5-ethylthiophen-2-yl)ethanol (PubChem CID 65147995) has the molecular formula C14H14BrFOS and a molecular weight of 329.23 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-2-(5-ethylthiophen-2-yl)ethanol.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-2-(5-ethylthiophen-2-yl)ethanol
PubChem CID65147995
Molecular FormulaC14H14BrFOS
Molecular Weight329.23 g/mol
Exact Mass327.99
IUPAC Name1-(5-bromo-2-fluorophenyl)-2-(5-ethylthiophen-2-yl)ethanol
SMILESCCc1ccc(CC(O)c2cc(Br)ccc2F)s1
InChIInChI=1S/C14H14BrFOS/c1-2-10-4-5-11(18-10)8-14(17)12-7-9(15)3-6-13(12)16/h3-7,14,17H,2,8H2,1H3
InChIKeyDJCFKCMLLQBNJR-UHFFFAOYSA-N
XLogP4.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-2-(5-ethylthiophen-2-yl)ethanol
CID 62606304
1-[2-bromo-5-(trifluoromethyl)phenyl]-2-(5-ethylthiophen-2-yl)ethanol
CID 115786380
1-(5-bromo-2-fluorophenyl)-2-chloroethanol
CID 83001576
1-(5-bromo-2-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanol
CID 65148286
1-(2,5-dibromophenyl)-2-(5-ethylthiophen-2-yl)ethanamine
CID 115842771
1-(5-bromo-2-fluorophenyl)-2-(2-chloro-4-methylphenyl)ethanol
CID 106866248
1-(5-bromo-2-fluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 79740221
1-(5-bromo-2-fluorophenyl)-2-(ethylamino)ethanol
CID 62774880
2-(5-bromo-2-fluorophenyl)-1-(5-bromo-2-methylphenyl)ethanol
CID 115784822
2-(4-bromothiophen-2-yl)-1-(2-fluoro-5-methylphenyl)ethanol
CID 115790170
1-(5-bromo-2-fluorophenyl)-3-(diethylamino)propan-1-ol
CID 79743269
2-(4-bromo-2-fluorophenyl)-1-(2,4-difluoro-5-methylphenyl)ethanol
CID 115788462

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-2-(5-ethylthiophen-2-yl)ethanol?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-2-(5-ethylthiophen-2-yl)ethanol (CID 65147995) is 1-(5-bromo-2-fluorophenyl)-2-(5-ethylthiophen-2-yl)ethanol.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-2-(5-ethylthiophen-2-yl)ethanol?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-2-(5-ethylthiophen-2-yl)ethanol is CCc1ccc(CC(O)c2cc(Br)ccc2F)s1.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-2-(5-ethylthiophen-2-yl)ethanol?
The InChIKey is DJCFKCMLLQBNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFOS/c1-2-10-4-5-11(18-10)8-14(17)12-7-9(15)3-6-13(12)16/h3-7,14,17H,2,8H2,1H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-2-(5-ethylthiophen-2-yl)ethanol?
1-(5-bromo-2-fluorophenyl)-2-(5-ethylthiophen-2-yl)ethanol has a molecular weight of 329.23 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-2-(5-ethylthiophen-2-yl)ethanol is sourced from PubChem (CID 65147995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).