1-(2,6-difluorophenyl)-2-(3-methylthiophen-2-yl)propan-2-ol

C14H14F2OS — CID 114931026

IUPAC1-(2,6-difluorophenyl)-2-(3-methylthiophen-2-yl)propan-2-ol
SMILESCc1ccsc1C(C)(O)Cc1c(F)cccc1F
InChIInChI=1S/C14H14F2OS/c1-9-6-7-18-13(9)14(2,17)8-10-11(15)4-3-5-12(10)16/h3-7,17H,8H2,1-2H3
InChIKeyCDGQUWDWMHZBJH-UHFFFAOYSA-N
MW268.33 g/mol
LogP3.78
Rot. Bonds3

About 1-(2,6-difluorophenyl)-2-(3-methylthiophen-2-yl)propan-2-ol

1-(2,6-difluorophenyl)-2-(3-methylthiophen-2-yl)propan-2-ol (PubChem CID 114931026) has the molecular formula C14H14F2OS and a molecular weight of 268.33 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-(3-methylthiophen-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-(3-methylthiophen-2-yl)propan-2-ol
PubChem CID114931026
Molecular FormulaC14H14F2OS
Molecular Weight268.33 g/mol
Exact Mass268.07
IUPAC Name1-(2,6-difluorophenyl)-2-(3-methylthiophen-2-yl)propan-2-ol
SMILESCc1ccsc1C(C)(O)Cc1c(F)cccc1F
InChIInChI=1S/C14H14F2OS/c1-9-6-7-18-13(9)14(2,17)8-10-11(15)4-3-5-12(10)16/h3-7,17H,8H2,1-2H3
InChIKeyCDGQUWDWMHZBJH-UHFFFAOYSA-N
XLogP3.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylphenyl)-2-(3-methylthiophen-2-yl)propan-2-ol
CID 63990522
1-(2,6-difluorophenyl)-2-phenylpropan-2-ol
CID 114930959
1-(3-fluoro-4-methoxyphenyl)-2-(3-methylthiophen-2-yl)propan-2-ol
CID 65149465
2-(3-methylthiophen-2-yl)-1-thiophen-3-ylpropan-2-ol
CID 65148928
1-(2,6-difluorophenyl)-2-(2-fluorophenyl)propan-2-ol
CID 114930965
1-(2,6-difluorophenyl)-2-(3-methylphenyl)propan-2-ol
CID 114930963
1-(2,6-difluorophenyl)-2-(4-methoxyphenyl)propan-2-ol
CID 114930972
1-(2,6-difluorophenyl)-2,3-dimethylbutan-2-ol
CID 114930978
3-hydroxy-3-(3-methylthiophen-2-yl)butanenitrile
CID 79118234
2-(3-methylthiophen-2-yl)pent-4-en-2-ol
CID 79734594
2-(3-chlorothiophen-2-yl)-1-(2-fluorophenyl)propan-2-ol
CID 107359205
2-(2,2-dimethylpropyl)-1-fluoro-3-methylbenzene
CID 58149351

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-(3-methylthiophen-2-yl)propan-2-ol?
The IUPAC name of 1-(2,6-difluorophenyl)-2-(3-methylthiophen-2-yl)propan-2-ol (CID 114931026) is 1-(2,6-difluorophenyl)-2-(3-methylthiophen-2-yl)propan-2-ol.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-(3-methylthiophen-2-yl)propan-2-ol?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-(3-methylthiophen-2-yl)propan-2-ol is Cc1ccsc1C(C)(O)Cc1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-(3-methylthiophen-2-yl)propan-2-ol?
The InChIKey is CDGQUWDWMHZBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2OS/c1-9-6-7-18-13(9)14(2,17)8-10-11(15)4-3-5-12(10)16/h3-7,17H,8H2,1-2H3.
What are the key properties of 1-(2,6-difluorophenyl)-2-(3-methylthiophen-2-yl)propan-2-ol?
1-(2,6-difluorophenyl)-2-(3-methylthiophen-2-yl)propan-2-ol has a molecular weight of 268.33 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-2-(3-methylthiophen-2-yl)propan-2-ol is sourced from PubChem (CID 114931026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).