(3,4-difluorophenyl)-thiophen-3-ylmethanol

C11H8F2OS — CID 61087371

IUPAC(3,4-difluorophenyl)-thiophen-3-ylmethanol
SMILESOC(c1ccsc1)c1ccc(F)c(F)c1
InChIInChI=1S/C11H8F2OS/c12-9-2-1-7(5-10(9)13)11(14)8-3-4-15-6-8/h1-6,11,14H
InChIKeyVIZIVFUQJJPSNB-UHFFFAOYSA-N
MW226.25 g/mol
LogP3.11
Rot. Bonds2

About (3,4-difluorophenyl)-thiophen-3-ylmethanol

(3,4-difluorophenyl)-thiophen-3-ylmethanol (PubChem CID 61087371) has the molecular formula C11H8F2OS and a molecular weight of 226.25 g/mol. Its IUPAC name is (3,4-difluorophenyl)-thiophen-3-ylmethanol.

Molecular Properties

Compound Name(3,4-difluorophenyl)-thiophen-3-ylmethanol
PubChem CID61087371
Molecular FormulaC11H8F2OS
Molecular Weight226.25 g/mol
Exact Mass226.03
IUPAC Name(3,4-difluorophenyl)-thiophen-3-ylmethanol
SMILESOC(c1ccsc1)c1ccc(F)c(F)c1
InChIInChI=1S/C11H8F2OS/c12-9-2-1-7(5-10(9)13)11(14)8-3-4-15-6-8/h1-6,11,14H
InChIKeyVIZIVFUQJJPSNB-UHFFFAOYSA-N
XLogP3.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-fluoro-4-methylphenyl)-thiophen-3-ylmethanol
CID 65099500
(R)-(3-chloro-4-fluorophenyl)-thiophen-3-ylmethanol
CID 96932942
(R)-(3,4-difluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171229652
(2,5-difluorophenyl)-thiophen-3-ylmethanol
CID 61099759
(4-fluoro-3,5-dimethylphenyl)-thiophen-3-ylmethanol
CID 65296943
thiophen-3-yl-[3-(trifluoromethyl)phenyl]methanol
CID 62789605
(3-methoxy-4-methylphenyl)-thiophen-3-ylmethanol
CID 115805659
4-[(S)-amino(thiophen-3-yl)methyl]-2-fluorophenol
CID 171198764
thiophen-3-yl-(4-trimethylsilylphenyl)methanol
CID 166444858
(3,4-difluorophenyl)-(3-methylphenyl)methanol
CID 2758296
(4-sulfanyloxyphenyl)-thiophen-3-ylmethanol
CID 144923441
(2-fluoro-4-methoxyphenyl)-thiophen-3-ylmethanol
CID 61082292

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-thiophen-3-ylmethanol?
The IUPAC name of (3,4-difluorophenyl)-thiophen-3-ylmethanol (CID 61087371) is (3,4-difluorophenyl)-thiophen-3-ylmethanol.
What is the SMILES notation for (3,4-difluorophenyl)-thiophen-3-ylmethanol?
The canonical SMILES for (3,4-difluorophenyl)-thiophen-3-ylmethanol is OC(c1ccsc1)c1ccc(F)c(F)c1.
What is the InChIKey of (3,4-difluorophenyl)-thiophen-3-ylmethanol?
The InChIKey is VIZIVFUQJJPSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2OS/c12-9-2-1-7(5-10(9)13)11(14)8-3-4-15-6-8/h1-6,11,14H.
What are the key properties of (3,4-difluorophenyl)-thiophen-3-ylmethanol?
(3,4-difluorophenyl)-thiophen-3-ylmethanol has a molecular weight of 226.25 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-thiophen-3-ylmethanol is sourced from PubChem (CID 61087371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).