2-(2,5-difluorophenyl)-1-(3-ethylthiophen-2-yl)ethanol

C14H14F2OS — CID 114982148

IUPAC2-(2,5-difluorophenyl)-1-(3-ethylthiophen-2-yl)ethanol
SMILESCCc1ccsc1C(O)Cc1cc(F)ccc1F
InChIInChI=1S/C14H14F2OS/c1-2-9-5-6-18-14(9)13(17)8-10-7-11(15)3-4-12(10)16/h3-7,13,17H,2,8H2,1H3
InChIKeySNAPVAIFAUDJSL-UHFFFAOYSA-N
MW268.33 g/mol
LogP3.86
Rot. Bonds4

About 2-(2,5-difluorophenyl)-1-(3-ethylthiophen-2-yl)ethanol

2-(2,5-difluorophenyl)-1-(3-ethylthiophen-2-yl)ethanol (PubChem CID 114982148) has the molecular formula C14H14F2OS and a molecular weight of 268.33 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-1-(3-ethylthiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-1-(3-ethylthiophen-2-yl)ethanol
PubChem CID114982148
Molecular FormulaC14H14F2OS
Molecular Weight268.33 g/mol
Exact Mass268.07
IUPAC Name2-(2,5-difluorophenyl)-1-(3-ethylthiophen-2-yl)ethanol
SMILESCCc1ccsc1C(O)Cc1cc(F)ccc1F
InChIInChI=1S/C14H14F2OS/c1-2-9-5-6-18-14(9)13(17)8-10-7-11(15)3-4-12(10)16/h3-7,13,17H,2,8H2,1H3
InChIKeySNAPVAIFAUDJSL-UHFFFAOYSA-N
XLogP3.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorothiophen-2-yl)-2-(2,5-difluorophenyl)ethanol
CID 114982062
2-(3-bromo-2,6-difluorophenyl)-1-(3-ethylthiophen-2-yl)ethanol
CID 106274378
2-(2,5-dimethylphenyl)-1-(3-ethylthiophen-2-yl)ethanol
CID 79976014
1-(3-ethylthiophen-2-yl)-2-phenylethanol
CID 79975807
(1S)-3-amino-1-(3-ethylthiophen-2-yl)propan-1-ol
CID 96854417
2-ethyl-1,4-difluorobenzene
CID 23202513
2-(3-bromophenyl)-1-(3-ethylthiophen-2-yl)ethanol
CID 79976015
1-(3-chlorothiophen-2-yl)-2-(4-fluoro-2-methylphenyl)ethanol
CID 115838295
1-(4-tert-butylthiadiazol-5-yl)-2-(2,5-difluorophenyl)ethanol
CID 105081122
(3-ethylthiophen-2-yl)-(2,3,4-trifluorophenyl)methanol
CID 115797090
2-(2,5-difluorophenyl)-1-(2,4,6-trimethylphenyl)ethanol
CID 63893918
2-(2,5-difluorophenyl)-1-(2,6-dimethoxyphenyl)ethanol
CID 114981931

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-1-(3-ethylthiophen-2-yl)ethanol?
The IUPAC name of 2-(2,5-difluorophenyl)-1-(3-ethylthiophen-2-yl)ethanol (CID 114982148) is 2-(2,5-difluorophenyl)-1-(3-ethylthiophen-2-yl)ethanol.
What is the SMILES notation for 2-(2,5-difluorophenyl)-1-(3-ethylthiophen-2-yl)ethanol?
The canonical SMILES for 2-(2,5-difluorophenyl)-1-(3-ethylthiophen-2-yl)ethanol is CCc1ccsc1C(O)Cc1cc(F)ccc1F.
What is the InChIKey of 2-(2,5-difluorophenyl)-1-(3-ethylthiophen-2-yl)ethanol?
The InChIKey is SNAPVAIFAUDJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2OS/c1-2-9-5-6-18-14(9)13(17)8-10-7-11(15)3-4-12(10)16/h3-7,13,17H,2,8H2,1H3.
What are the key properties of 2-(2,5-difluorophenyl)-1-(3-ethylthiophen-2-yl)ethanol?
2-(2,5-difluorophenyl)-1-(3-ethylthiophen-2-yl)ethanol has a molecular weight of 268.33 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-1-(3-ethylthiophen-2-yl)ethanol is sourced from PubChem (CID 114982148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).