(3-bromo-2,6-difluorophenyl)-(5-bromothiophen-2-yl)methanol

C11H6Br2F2OS — CID 106941245

IUPAC(3-bromo-2,6-difluorophenyl)-(5-bromothiophen-2-yl)methanol
SMILESOC(c1ccc(Br)s1)c1c(F)ccc(Br)c1F
InChIInChI=1S/C11H6Br2F2OS/c12-5-1-2-6(14)9(10(5)15)11(16)7-3-4-8(13)17-7/h1-4,11,16H
InChIKeyBTYWTVSZJDVQHW-UHFFFAOYSA-N
MW384.04 g/mol
LogP4.63
Rot. Bonds2

About (3-bromo-2,6-difluorophenyl)-(5-bromothiophen-2-yl)methanol

(3-bromo-2,6-difluorophenyl)-(5-bromothiophen-2-yl)methanol (PubChem CID 106941245) has the molecular formula C11H6Br2F2OS and a molecular weight of 384.04 g/mol. Its IUPAC name is (3-bromo-2,6-difluorophenyl)-(5-bromothiophen-2-yl)methanol.

Molecular Properties

Compound Name(3-bromo-2,6-difluorophenyl)-(5-bromothiophen-2-yl)methanol
PubChem CID106941245
Molecular FormulaC11H6Br2F2OS
Molecular Weight384.04 g/mol
Exact Mass381.85
IUPAC Name(3-bromo-2,6-difluorophenyl)-(5-bromothiophen-2-yl)methanol
SMILESOC(c1ccc(Br)s1)c1c(F)ccc(Br)c1F
InChIInChI=1S/C11H6Br2F2OS/c12-5-1-2-6(14)9(10(5)15)11(16)7-3-4-8(13)17-7/h1-4,11,16H
InChIKeyBTYWTVSZJDVQHW-UHFFFAOYSA-N
XLogP4.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.04
LogP ≤ 54.63
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

(3-bromo-2,6-difluorophenyl)-(4-bromo-5-methylthiophen-2-yl)methanol
CID 106941526
(3-bromo-2,6-difluorophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol
CID 106945171
(2-bromo-5-fluorophenyl)-(5-bromothiophen-2-yl)methanol
CID 61081150
(5-bromothiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanol
CID 61101677
(5-bromothiophen-2-yl)-(2,3-difluoro-4-methylphenyl)methanol
CID 107512137
(5-chlorothiophen-2-yl)-(2,6-difluoro-3-methylphenyl)methanol
CID 82816406
(5-bromothiophen-2-yl)-(3-fluoro-5-methylphenyl)methanol
CID 79691471
(5-bromothiophen-2-yl)-(4,5-dibromothiophen-2-yl)methanol
CID 80535532
(3-bromo-2,6-difluorophenyl)-(5-chlorothiophen-2-yl)methanamine
CID 106944889
(5-bromothiophen-2-yl)-(2,4,5-trimethylfuran-3-yl)methanol
CID 65153269
(3-bromo-2,6-difluorophenyl)-(3-bromo-5-methylphenyl)methanol
CID 106945118
(3-bromo-2,6-difluorophenyl)-(2-bromo-3-methylphenyl)methanol
CID 107985905

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2,6-difluorophenyl)-(5-bromothiophen-2-yl)methanol?
The IUPAC name of (3-bromo-2,6-difluorophenyl)-(5-bromothiophen-2-yl)methanol (CID 106941245) is (3-bromo-2,6-difluorophenyl)-(5-bromothiophen-2-yl)methanol.
What is the SMILES notation for (3-bromo-2,6-difluorophenyl)-(5-bromothiophen-2-yl)methanol?
The canonical SMILES for (3-bromo-2,6-difluorophenyl)-(5-bromothiophen-2-yl)methanol is OC(c1ccc(Br)s1)c1c(F)ccc(Br)c1F.
What is the InChIKey of (3-bromo-2,6-difluorophenyl)-(5-bromothiophen-2-yl)methanol?
The InChIKey is BTYWTVSZJDVQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Br2F2OS/c12-5-1-2-6(14)9(10(5)15)11(16)7-3-4-8(13)17-7/h1-4,11,16H.
What are the key properties of (3-bromo-2,6-difluorophenyl)-(5-bromothiophen-2-yl)methanol?
(3-bromo-2,6-difluorophenyl)-(5-bromothiophen-2-yl)methanol has a molecular weight of 384.04 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2,6-difluorophenyl)-(5-bromothiophen-2-yl)methanol is sourced from PubChem (CID 106941245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).