(R)-(3-chloro-4-fluorophenyl)-thiophen-3-ylmethanol

C11H8ClFOS — CID 96932942

IUPAC(R)-(3-chloro-4-fluorophenyl)-thiophen-3-ylmethanol
SMILESO[C@@H](c1ccsc1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C11H8ClFOS/c12-9-5-7(1-2-10(9)13)11(14)8-3-4-15-6-8/h1-6,11,14H/t11-/m1/s1
InChIKeyNGJJNTSOXIOMDD-LLVKDONJSA-N
MW242.70 g/mol
LogP3.62
Rot. Bonds2

About (R)-(3-chloro-4-fluorophenyl)-thiophen-3-ylmethanol

(R)-(3-chloro-4-fluorophenyl)-thiophen-3-ylmethanol (PubChem CID 96932942) has the molecular formula C11H8ClFOS and a molecular weight of 242.70 g/mol. Its IUPAC name is (R)-(3-chloro-4-fluorophenyl)-thiophen-3-ylmethanol.

Molecular Properties

Compound Name(R)-(3-chloro-4-fluorophenyl)-thiophen-3-ylmethanol
PubChem CID96932942
Molecular FormulaC11H8ClFOS
Molecular Weight242.70 g/mol
Exact Mass242.00
IUPAC Name(R)-(3-chloro-4-fluorophenyl)-thiophen-3-ylmethanol
SMILESO[C@@H](c1ccsc1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C11H8ClFOS/c12-9-5-7(1-2-10(9)13)11(14)8-3-4-15-6-8/h1-6,11,14H/t11-/m1/s1
InChIKeyNGJJNTSOXIOMDD-LLVKDONJSA-N
XLogP3.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.70
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-difluorophenyl)-thiophen-3-ylmethanol
CID 61087371
(3-fluoro-4-methylphenyl)-thiophen-3-ylmethanol
CID 65099500
1-(3-chloro-4-fluorophenyl)-2-thiophen-3-ylethanol
CID 63094329
(3-chloro-4-fluorophenyl)-(4-propan-2-ylphenyl)methanol
CID 63094658
(3-bromo-4-fluorophenyl)-(3-chloro-4-fluorophenyl)methanol
CID 82879548
(S)-(3-chloro-4-fluorophenyl)-thiophen-2-ylmethanol
CID 95011849
(2,5-difluorophenyl)-thiophen-3-ylmethanol
CID 61099759
(R)-(3-chloro-4-fluorophenyl)-(furan-3-yl)methanol
CID 95256733
(4-fluoro-3,5-dimethylphenyl)-thiophen-3-ylmethanol
CID 65296943
(4-butan-2-ylphenyl)-(3-chloro-4-fluorophenyl)methanol
CID 82879198
(3-chloro-4-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanol
CID 63094497
(S)-(3-chloro-4-fluorophenyl)-(5-methylthiophen-2-yl)methanol
CID 97001534

Frequently Asked Questions

What is the IUPAC name of (R)-(3-chloro-4-fluorophenyl)-thiophen-3-ylmethanol?
The IUPAC name of (R)-(3-chloro-4-fluorophenyl)-thiophen-3-ylmethanol (CID 96932942) is (R)-(3-chloro-4-fluorophenyl)-thiophen-3-ylmethanol.
What is the SMILES notation for (R)-(3-chloro-4-fluorophenyl)-thiophen-3-ylmethanol?
The canonical SMILES for (R)-(3-chloro-4-fluorophenyl)-thiophen-3-ylmethanol is O[C@@H](c1ccsc1)c1ccc(F)c(Cl)c1.
What is the InChIKey of (R)-(3-chloro-4-fluorophenyl)-thiophen-3-ylmethanol?
The InChIKey is NGJJNTSOXIOMDD-LLVKDONJSA-N. The full InChI is InChI=1S/C11H8ClFOS/c12-9-5-7(1-2-10(9)13)11(14)8-3-4-15-6-8/h1-6,11,14H/t11-/m1/s1.
What are the key properties of (R)-(3-chloro-4-fluorophenyl)-thiophen-3-ylmethanol?
(R)-(3-chloro-4-fluorophenyl)-thiophen-3-ylmethanol has a molecular weight of 242.70 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(3-chloro-4-fluorophenyl)-thiophen-3-ylmethanol is sourced from PubChem (CID 96932942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).