(5-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol

C11H6Br2ClFOS — CID 61081422

IUPAC(5-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol
SMILESOC(c1cc(Cl)ccc1F)c1cc(Br)sc1Br
InChIInChI=1S/C11H6Br2ClFOS/c12-9-4-7(11(13)17-9)10(16)6-3-5(14)1-2-8(6)15/h1-4,10,16H
InChIKeyZNURUEKNFWDHHD-UHFFFAOYSA-N
MW400.49 g/mol
LogP5.15
Rot. Bonds2

About (5-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol

(5-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol (PubChem CID 61081422) has the molecular formula C11H6Br2ClFOS and a molecular weight of 400.49 g/mol. Its IUPAC name is (5-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol.

Molecular Properties

Compound Name(5-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol
PubChem CID61081422
Molecular FormulaC11H6Br2ClFOS
Molecular Weight400.49 g/mol
Exact Mass397.82
IUPAC Name(5-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol
SMILESOC(c1cc(Cl)ccc1F)c1cc(Br)sc1Br
InChIInChI=1S/C11H6Br2ClFOS/c12-9-4-7(11(13)17-9)10(16)6-3-5(14)1-2-8(6)15/h1-4,10,16H
InChIKeyZNURUEKNFWDHHD-UHFFFAOYSA-N
XLogP5.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.49
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-Chlorophenyl)-1-(2-thienyl)-1-propanol
CID 2768269
2-(3-chloro-4-fluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol
CID 103043664
1-(5-Chloro-2-fluorophenyl)-2-thiophen-2-ylpropan-2-ol
CID 103047510
2-(5-Chloro-2-fluorophenyl)-1-thiophen-3-ylethanol
CID 103047544
2-(5-Chloro-2-fluorophenyl)-1-thiophen-2-ylethanol
CID 103047550
2-(5-Chloro-2-fluorophenyl)-1-(5-chlorothiophen-2-yl)ethanol
CID 103047593
1-(5-Tert-butylthiophen-2-yl)-2-(5-chloro-2-fluorophenyl)ethanol
CID 103047725
1-(3-Bromothiophen-2-yl)-2-(5-chloro-2-fluorophenyl)ethanol
CID 103047728
(5-Chlorothiophen-2-yl)-phenylmethanol
CID 20867537
(R)-(3-chlorophenyl)-thiophen-2-ylmethanol
CID 46704206
[2-[(3-Chlorophenyl)methyl]thiophen-3-yl]methanol
CID 129253767
(5-Chlorothiophen-2-yl)-(4-fluorophenyl)methanol
CID 61088932

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol?
The IUPAC name of (5-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol (CID 61081422) is (5-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol.
What is the SMILES notation for (5-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol?
The canonical SMILES for (5-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol is OC(c1cc(Cl)ccc1F)c1cc(Br)sc1Br.
What is the InChIKey of (5-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol?
The InChIKey is ZNURUEKNFWDHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Br2ClFOS/c12-9-4-7(11(13)17-9)10(16)6-3-5(14)1-2-8(6)15/h1-4,10,16H.
What are the key properties of (5-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol?
(5-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol has a molecular weight of 400.49 g/mol, XLogP of 5.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol is sourced from PubChem (CID 61081422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).