2-(2,2-difluoro-1-methylcyclopropyl)-1-thiophen-2-ylethanol

C10H12F2OS — CID 164652208

IUPAC2-(2,2-difluoro-1-methylcyclopropyl)-1-thiophen-2-ylethanol
SMILESCC1(CC(O)c2cccs2)CC1(F)F
InChIInChI=1S/C10H12F2OS/c1-9(6-10(9,11)12)5-7(13)8-3-2-4-14-8/h2-4,7,13H,5-6H2,1H3
InChIKeyMDTUQMLRIOECOC-UHFFFAOYSA-N
MW218.27 g/mol
LogP3.22
Rot. Bonds3

About 2-(2,2-difluoro-1-methylcyclopropyl)-1-thiophen-2-ylethanol

2-(2,2-difluoro-1-methylcyclopropyl)-1-thiophen-2-ylethanol (PubChem CID 164652208) has the molecular formula C10H12F2OS and a molecular weight of 218.27 g/mol. Its IUPAC name is 2-(2,2-difluoro-1-methylcyclopropyl)-1-thiophen-2-ylethanol.

Molecular Properties

Compound Name2-(2,2-difluoro-1-methylcyclopropyl)-1-thiophen-2-ylethanol
PubChem CID164652208
Molecular FormulaC10H12F2OS
Molecular Weight218.27 g/mol
Exact Mass218.06
IUPAC Name2-(2,2-difluoro-1-methylcyclopropyl)-1-thiophen-2-ylethanol
SMILESCC1(CC(O)c2cccs2)CC1(F)F
InChIInChI=1S/C10H12F2OS/c1-9(6-10(9,11)12)5-7(13)8-3-2-4-14-8/h2-4,7,13H,5-6H2,1H3
InChIKeyMDTUQMLRIOECOC-UHFFFAOYSA-N
XLogP3.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.27
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-1-thiophen-2-ylethanol
CID 22324999
(1S)-2-chloro-1-thiophen-2-ylethanol
CID 15981658
2-(methylamino)-1-thiophen-2-ylethanol
CID 22498745
2-(4-methylpiperazin-1-yl)-1-thiophen-2-ylethanol
CID 82026679
3-[(2-hydroxy-2-thiophen-2-ylethyl)amino]-2,2-dimethylcyclobutan-1-ol
CID 115976768
2-[(2,2-dimethylcyclopentyl)amino]-1-thiophen-2-ylethanol
CID 79861440
(3R)-3-hydroxy-N,N-dimethyl-3-thiophen-2-ylpropanamide
CID 141411439
2-cyclobutyl-1-thiophen-2-ylethanol
CID 65456950
2-pyrrolidin-1-yl-1-thiophen-2-ylethanol
CID 55212055
(1R)-2-(propylamino)-1-thiophen-2-ylethanol
CID 39237770
1,2-dithiophen-2-ylethane-1,2-diol
CID 11128014
(1-methoxy-4,4-dimethylcyclohexyl)-thiophen-2-ylmethanol
CID 116755748

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoro-1-methylcyclopropyl)-1-thiophen-2-ylethanol?
The IUPAC name of 2-(2,2-difluoro-1-methylcyclopropyl)-1-thiophen-2-ylethanol (CID 164652208) is 2-(2,2-difluoro-1-methylcyclopropyl)-1-thiophen-2-ylethanol.
What is the SMILES notation for 2-(2,2-difluoro-1-methylcyclopropyl)-1-thiophen-2-ylethanol?
The canonical SMILES for 2-(2,2-difluoro-1-methylcyclopropyl)-1-thiophen-2-ylethanol is CC1(CC(O)c2cccs2)CC1(F)F.
What is the InChIKey of 2-(2,2-difluoro-1-methylcyclopropyl)-1-thiophen-2-ylethanol?
The InChIKey is MDTUQMLRIOECOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2OS/c1-9(6-10(9,11)12)5-7(13)8-3-2-4-14-8/h2-4,7,13H,5-6H2,1H3.
What are the key properties of 2-(2,2-difluoro-1-methylcyclopropyl)-1-thiophen-2-ylethanol?
2-(2,2-difluoro-1-methylcyclopropyl)-1-thiophen-2-ylethanol has a molecular weight of 218.27 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoro-1-methylcyclopropyl)-1-thiophen-2-ylethanol is sourced from PubChem (CID 164652208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).