(4-fluoro-4,5-dimethylthiolan-2-yl)methanol

C7H13FOS — CID 90982455

IUPAC(4-fluoro-4,5-dimethylthiolan-2-yl)methanol
SMILESCC1SC(CO)CC1(C)F
InChIInChI=1S/C7H13FOS/c1-5-7(2,8)3-6(4-9)10-5/h5-6,9H,3-4H2,1-2H3
InChIKeyMIKGERDLJKBASU-UHFFFAOYSA-N
MW164.24 g/mol
LogP1.60
Rot. Bonds1

About (4-fluoro-4,5-dimethylthiolan-2-yl)methanol

(4-fluoro-4,5-dimethylthiolan-2-yl)methanol (PubChem CID 90982455) has the molecular formula C7H13FOS and a molecular weight of 164.24 g/mol. Its IUPAC name is (4-fluoro-4,5-dimethylthiolan-2-yl)methanol.

Molecular Properties

Compound Name(4-fluoro-4,5-dimethylthiolan-2-yl)methanol
PubChem CID90982455
Molecular FormulaC7H13FOS
Molecular Weight164.24 g/mol
Exact Mass164.07
IUPAC Name(4-fluoro-4,5-dimethylthiolan-2-yl)methanol
SMILESCC1SC(CO)CC1(C)F
InChIInChI=1S/C7H13FOS/c1-5-7(2,8)3-6(4-9)10-5/h5-6,9H,3-4H2,1-2H3
InChIKeyMIKGERDLJKBASU-UHFFFAOYSA-N
XLogP1.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.24
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(Trifluoromethyl)thiolan-2-yl]methanol
CID 165646484
(2R,3S,4R,5S)-4-fluoro-2-(hydroxymethyl)-4,5-dimethylthiolan-3-ol
CID 59796262
[(2S,4R,5S)-5-methyl-4-(trifluoromethyl)thiolan-2-yl]methanol
CID 68034780
(2S,3S,5S)-3-(fluoromethyl)-5-(hydroxymethyl)-2-methylthiolan-3-ol
CID 68034795
(2S,3S,5S)-5-(hydroxymethyl)-2-methyl-3-(trifluoromethyl)thiolan-3-ol
CID 70896962
4-Fluoro-2-(hydroxymethyl)-4,5-dimethylthiolan-3-ol
CID 72564273
[(2S,4R,5S)-4-(fluoromethyl)-5-methylthiolan-2-yl]methanol
CID 89078257
[(2S,3S,4R,5S)-4-fluoro-3,5-dimethylthiolan-2-yl]methanol
CID 89109116
(2R,3S,4R,5S)-4-fluoro-2-(methoxymethyl)-4,5-dimethylthiolan-3-ol
CID 89258018
(3S,4S,5R)-5-ethyl-3-fluoro-4-methylthiolan-2-ol
CID 118119109
(4S,5S)-5-ethyl-3,3-difluoro-4-methylthiolan-2-ol
CID 118119213
(4-Fluoro-5-methylthiolan-2-yl)methanol
CID 144573148

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-4,5-dimethylthiolan-2-yl)methanol?
The IUPAC name of (4-fluoro-4,5-dimethylthiolan-2-yl)methanol (CID 90982455) is (4-fluoro-4,5-dimethylthiolan-2-yl)methanol.
What is the SMILES notation for (4-fluoro-4,5-dimethylthiolan-2-yl)methanol?
The canonical SMILES for (4-fluoro-4,5-dimethylthiolan-2-yl)methanol is CC1SC(CO)CC1(C)F.
What is the InChIKey of (4-fluoro-4,5-dimethylthiolan-2-yl)methanol?
The InChIKey is MIKGERDLJKBASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FOS/c1-5-7(2,8)3-6(4-9)10-5/h5-6,9H,3-4H2,1-2H3.
What are the key properties of (4-fluoro-4,5-dimethylthiolan-2-yl)methanol?
(4-fluoro-4,5-dimethylthiolan-2-yl)methanol has a molecular weight of 164.24 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-4,5-dimethylthiolan-2-yl)methanol is sourced from PubChem (CID 90982455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).