(2,5-difluorophenyl)-(2-methylthiolan-2-yl)methanol

C12H14F2OS — CID 105094902

IUPAC(2,5-difluorophenyl)-(2-methylthiolan-2-yl)methanol
SMILESCC1(C(O)c2cc(F)ccc2F)CCCS1
InChIInChI=1S/C12H14F2OS/c1-12(5-2-6-16-12)11(15)9-7-8(13)3-4-10(9)14/h3-4,7,11,15H,2,5-6H2,1H3
InChIKeyVIGJMZQNOHWJMT-UHFFFAOYSA-N
MW244.31 g/mol
LogP3.28
Rot. Bonds2

About (2,5-difluorophenyl)-(2-methylthiolan-2-yl)methanol

(2,5-difluorophenyl)-(2-methylthiolan-2-yl)methanol (PubChem CID 105094902) has the molecular formula C12H14F2OS and a molecular weight of 244.31 g/mol. Its IUPAC name is (2,5-difluorophenyl)-(2-methylthiolan-2-yl)methanol.

Molecular Properties

Compound Name(2,5-difluorophenyl)-(2-methylthiolan-2-yl)methanol
PubChem CID105094902
Molecular FormulaC12H14F2OS
Molecular Weight244.31 g/mol
Exact Mass244.07
IUPAC Name(2,5-difluorophenyl)-(2-methylthiolan-2-yl)methanol
SMILESCC1(C(O)c2cc(F)ccc2F)CCCS1
InChIInChI=1S/C12H14F2OS/c1-12(5-2-6-16-12)11(15)9-7-8(13)3-4-10(9)14/h3-4,7,11,15H,2,5-6H2,1H3
InChIKeyVIGJMZQNOHWJMT-UHFFFAOYSA-N
XLogP3.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chloro-5-fluorophenyl)-(2-methylthiolan-2-yl)methanol
CID 105397588
(3-fluorophenyl)-(2-methylthiolan-2-yl)methanol
CID 105078411
1-(2,5-difluorophenyl)-2-[(2-methylthiolan-2-yl)methylamino]ethanol
CID 80722671
1-[(2,5-difluorophenyl)-hydroxymethyl]cyclobutane-1-carbonitrile
CID 79132656
1-[(2,5-difluorophenyl)-hydroxymethyl]cyclohexane-1-carbonitrile
CID 79132900
2-(2,5-difluorophenyl)-N-methyl-1-(2-methylthiolan-2-yl)ethanamine
CID 105105246
2-(2-bromo-5-fluorophenyl)-1-(2-methylthiolan-2-yl)ethanol
CID 105088454
(2,5-difluorophenyl)-(1-methoxycycloheptyl)methanol
CID 116756000
(2-methylthiolan-2-yl)-(4-propan-2-ylphenyl)methanol
CID 105095767
(3,4-dimethylphenyl)-(2-methylthiolan-2-yl)methanol
CID 105091741
[(5-bromo-2-fluorophenyl)-(2-methylthiolan-2-yl)methyl]hydrazine
CID 105323190
1-adamantyl-(2,5-difluorophenyl)methanol
CID 63410694

Frequently Asked Questions

What is the IUPAC name of (2,5-difluorophenyl)-(2-methylthiolan-2-yl)methanol?
The IUPAC name of (2,5-difluorophenyl)-(2-methylthiolan-2-yl)methanol (CID 105094902) is (2,5-difluorophenyl)-(2-methylthiolan-2-yl)methanol.
What is the SMILES notation for (2,5-difluorophenyl)-(2-methylthiolan-2-yl)methanol?
The canonical SMILES for (2,5-difluorophenyl)-(2-methylthiolan-2-yl)methanol is CC1(C(O)c2cc(F)ccc2F)CCCS1.
What is the InChIKey of (2,5-difluorophenyl)-(2-methylthiolan-2-yl)methanol?
The InChIKey is VIGJMZQNOHWJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2OS/c1-12(5-2-6-16-12)11(15)9-7-8(13)3-4-10(9)14/h3-4,7,11,15H,2,5-6H2,1H3.
What are the key properties of (2,5-difluorophenyl)-(2-methylthiolan-2-yl)methanol?
(2,5-difluorophenyl)-(2-methylthiolan-2-yl)methanol has a molecular weight of 244.31 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-difluorophenyl)-(2-methylthiolan-2-yl)methanol is sourced from PubChem (CID 105094902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).