(4-bromo-2,5-difluorophenyl)-(2,5-dichlorothiophen-3-yl)methanol

C11H5BrCl2F2OS — CID 107964287

IUPAC(4-bromo-2,5-difluorophenyl)-(2,5-dichlorothiophen-3-yl)methanol
SMILESOC(c1cc(F)c(Br)cc1F)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H5BrCl2F2OS/c12-6-3-7(15)4(1-8(6)16)10(17)5-2-9(13)18-11(5)14/h1-3,10,17H
InChIKeyHUYDYPDOLFAFRT-UHFFFAOYSA-N
MW374.03 g/mol
LogP5.18
Rot. Bonds2

About (4-bromo-2,5-difluorophenyl)-(2,5-dichlorothiophen-3-yl)methanol

(4-bromo-2,5-difluorophenyl)-(2,5-dichlorothiophen-3-yl)methanol (PubChem CID 107964287) has the molecular formula C11H5BrCl2F2OS and a molecular weight of 374.03 g/mol. Its IUPAC name is (4-bromo-2,5-difluorophenyl)-(2,5-dichlorothiophen-3-yl)methanol.

Molecular Properties

Compound Name(4-bromo-2,5-difluorophenyl)-(2,5-dichlorothiophen-3-yl)methanol
PubChem CID107964287
Molecular FormulaC11H5BrCl2F2OS
Molecular Weight374.03 g/mol
Exact Mass371.86
IUPAC Name(4-bromo-2,5-difluorophenyl)-(2,5-dichlorothiophen-3-yl)methanol
SMILESOC(c1cc(F)c(Br)cc1F)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H5BrCl2F2OS/c12-6-3-7(15)4(1-8(6)16)10(17)5-2-9(13)18-11(5)14/h1-3,10,17H
InChIKeyHUYDYPDOLFAFRT-UHFFFAOYSA-N
XLogP5.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.03
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(2,5-dichlorothiophen-3-yl)-(2,5-difluoro-4-methylphenyl)methanol
CID 107964322
(4-bromo-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanol
CID 61082809
(2,5-dichlorothiophen-3-yl)-(2-fluorophenyl)methanol
CID 61082413
(4-bromo-2,5-difluorophenyl)-(3-chloro-2-fluorophenyl)methanol
CID 81264627
(5-bromo-2-methylthiophen-3-yl)-(2,5-dichlorothiophen-3-yl)methanol
CID 107964308
(3-bromo-5-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanol
CID 61080476
(2,4-dichlorophenyl)-(2,5-dichlorothiophen-3-yl)methanol
CID 63426938
2,5-dichloro-3-[chloro-(2,4,5-trifluorophenyl)methyl]thiophene
CID 114021706
(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(2,5-dichlorothiophen-3-yl)methanol
CID 107964177
(4-bromo-5-chloro-2-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanol
CID 107964399
(2-chloro-4,5-dimethylphenyl)-(2,5-dichlorothiophen-3-yl)methanol
CID 107964349
(3-bromophenyl)-(2,5-dichlorothiophen-3-yl)methanol
CID 61082620

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,5-difluorophenyl)-(2,5-dichlorothiophen-3-yl)methanol?
The IUPAC name of (4-bromo-2,5-difluorophenyl)-(2,5-dichlorothiophen-3-yl)methanol (CID 107964287) is (4-bromo-2,5-difluorophenyl)-(2,5-dichlorothiophen-3-yl)methanol.
What is the SMILES notation for (4-bromo-2,5-difluorophenyl)-(2,5-dichlorothiophen-3-yl)methanol?
The canonical SMILES for (4-bromo-2,5-difluorophenyl)-(2,5-dichlorothiophen-3-yl)methanol is OC(c1cc(F)c(Br)cc1F)c1cc(Cl)sc1Cl.
What is the InChIKey of (4-bromo-2,5-difluorophenyl)-(2,5-dichlorothiophen-3-yl)methanol?
The InChIKey is HUYDYPDOLFAFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrCl2F2OS/c12-6-3-7(15)4(1-8(6)16)10(17)5-2-9(13)18-11(5)14/h1-3,10,17H.
What are the key properties of (4-bromo-2,5-difluorophenyl)-(2,5-dichlorothiophen-3-yl)methanol?
(4-bromo-2,5-difluorophenyl)-(2,5-dichlorothiophen-3-yl)methanol has a molecular weight of 374.03 g/mol, XLogP of 5.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2,5-difluorophenyl)-(2,5-dichlorothiophen-3-yl)methanol is sourced from PubChem (CID 107964287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).