(1R)-1-(3-chlorothiophen-2-yl)-2,2,2-trifluoroethanol

C6H4ClF3OS — CID 107359618

IUPAC(1R)-1-(3-chlorothiophen-2-yl)-2,2,2-trifluoroethanol
SMILESO[C@@H](c1sccc1Cl)C(F)(F)F
InChIInChI=1S/C6H4ClF3OS/c7-3-1-2-12-4(3)5(11)6(8,9)10/h1-2,5,11H/t5-/m0/s1
InChIKeyBFBULSINCUDGAG-YFKPBYRVSA-N
MW216.61 g/mol
LogP3.00
Rot. Bonds1

About (1R)-1-(3-chlorothiophen-2-yl)-2,2,2-trifluoroethanol

(1R)-1-(3-chlorothiophen-2-yl)-2,2,2-trifluoroethanol (PubChem CID 107359618) has the molecular formula C6H4ClF3OS and a molecular weight of 216.61 g/mol. Its IUPAC name is (1R)-1-(3-chlorothiophen-2-yl)-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name(1R)-1-(3-chlorothiophen-2-yl)-2,2,2-trifluoroethanol
PubChem CID107359618
Molecular FormulaC6H4ClF3OS
Molecular Weight216.61 g/mol
Exact Mass215.96
IUPAC Name(1R)-1-(3-chlorothiophen-2-yl)-2,2,2-trifluoroethanol
SMILESO[C@@H](c1sccc1Cl)C(F)(F)F
InChIInChI=1S/C6H4ClF3OS/c7-3-1-2-12-4(3)5(11)6(8,9)10/h1-2,5,11H/t5-/m0/s1
InChIKeyBFBULSINCUDGAG-YFKPBYRVSA-N
XLogP3.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.61
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorothiophen-2-yl)-2,2-difluoropropan-1-ol
CID 130701576
bis(3-chlorothiophen-2-yl)methanol
CID 80642135
1-(3-chlorothiophen-2-yl)-3,3-difluorobutan-1-ol
CID 131081703
1-(3-chlorothiophen-2-yl)-2,2-dimethylbutan-1-ol
CID 80530613
1-(3-chlorothiophen-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine
CID 103309707
1-(3-chlorothiophen-2-yl)-2-(dimethylamino)-2-methylbutan-1-ol
CID 107359559
1-(3-chlorothiophen-2-yl)-4,4,4-trifluorobutan-1-amine
CID 80530078
1-(3-chlorothiophen-2-yl)-2-methylprop-2-en-1-ol
CID 115817404
(5-chloro-2-fluorophenyl)-(3-chlorothiophen-2-yl)methanol
CID 80529355
3-amino-1-(3-chlorothiophen-2-yl)propan-1-ol
CID 80641547
(1R)-1-(3-chlorothiophen-2-yl)-2-fluoroethanamine
CID 130714620
1-(4-chlorothiophen-2-yl)-2,2,2-trifluoroethanol
CID 79426546

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-chlorothiophen-2-yl)-2,2,2-trifluoroethanol?
The IUPAC name of (1R)-1-(3-chlorothiophen-2-yl)-2,2,2-trifluoroethanol (CID 107359618) is (1R)-1-(3-chlorothiophen-2-yl)-2,2,2-trifluoroethanol.
What is the SMILES notation for (1R)-1-(3-chlorothiophen-2-yl)-2,2,2-trifluoroethanol?
The canonical SMILES for (1R)-1-(3-chlorothiophen-2-yl)-2,2,2-trifluoroethanol is O[C@@H](c1sccc1Cl)C(F)(F)F.
What is the InChIKey of (1R)-1-(3-chlorothiophen-2-yl)-2,2,2-trifluoroethanol?
The InChIKey is BFBULSINCUDGAG-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H4ClF3OS/c7-3-1-2-12-4(3)5(11)6(8,9)10/h1-2,5,11H/t5-/m0/s1.
What are the key properties of (1R)-1-(3-chlorothiophen-2-yl)-2,2,2-trifluoroethanol?
(1R)-1-(3-chlorothiophen-2-yl)-2,2,2-trifluoroethanol has a molecular weight of 216.61 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-chlorothiophen-2-yl)-2,2,2-trifluoroethanol is sourced from PubChem (CID 107359618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).