(1R)-2,2,2-trifluoro-1-(3-methyl-1,2-thiazol-5-yl)ethanol

C6H6F3NOS — CID 130991631

IUPAC(1R)-2,2,2-trifluoro-1-(3-methyl-1,2-thiazol-5-yl)ethanol
SMILESCc1cc([C@H](O)C(F)(F)F)sn1
InChIInChI=1S/C6H6F3NOS/c1-3-2-4(12-10-3)5(11)6(7,8)9/h2,5,11H,1H3/t5-/m0/s1
InChIKeyXLMRZJRDHWAMCX-YFKPBYRVSA-N
MW197.18 g/mol
LogP2.05
Rot. Bonds1

About (1R)-2,2,2-trifluoro-1-(3-methyl-1,2-thiazol-5-yl)ethanol

(1R)-2,2,2-trifluoro-1-(3-methyl-1,2-thiazol-5-yl)ethanol (PubChem CID 130991631) has the molecular formula C6H6F3NOS and a molecular weight of 197.18 g/mol. Its IUPAC name is (1R)-2,2,2-trifluoro-1-(3-methyl-1,2-thiazol-5-yl)ethanol.

Molecular Properties

Compound Name(1R)-2,2,2-trifluoro-1-(3-methyl-1,2-thiazol-5-yl)ethanol
PubChem CID130991631
Molecular FormulaC6H6F3NOS
Molecular Weight197.18 g/mol
Exact Mass197.01
IUPAC Name(1R)-2,2,2-trifluoro-1-(3-methyl-1,2-thiazol-5-yl)ethanol
SMILESCc1cc([C@H](O)C(F)(F)F)sn1
InChIInChI=1S/C6H6F3NOS/c1-3-2-4(12-10-3)5(11)6(7,8)9/h2,5,11H,1H3/t5-/m0/s1
InChIKeyXLMRZJRDHWAMCX-YFKPBYRVSA-N
XLogP2.05
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.18
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-Methyl-1,2-thiazol-5-yl)methanol
CID 14343601
(5-Methyl-1,2-thiazol-3-yl)methanol
CID 86767403
(3-(Trifluoromethyl)isothiazol-5-yl)methanol
CID 130670799
1-(5-Methyl-1,2-thiazol-3-yl)ethanol
CID 45085688
[5-(Trifluoromethyl)-1,2-thiazol-3-yl]methanol
CID 130605286
2-Chloro-2,2-difluoro-1-(3-methyl-1,2-thiazol-5-yl)ethanol
CID 130632621
3-Amino-1,1,1-trifluoro-2-(3-methyl-1,2-thiazol-5-yl)propan-2-ol
CID 130638070
(1S)-2,2,2-trifluoro-1-(1,2-thiazol-3-yl)ethanol
CID 131067597
2,2-Difluoro-1-(1,2-thiazol-3-yl)ethanol
CID 131096578
2,2,2-Trifluoro-1-(1,2-thiazol-3-yl)ethanol
CID 131163031
4,4-Difluoro-1-(3-methyl-1,2-thiazol-5-yl)cyclohex-2-en-1-ol
CID 165492038
(3-Propan-2-yl-1,2-thiazol-5-yl)methanol
CID 18759003

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2,2-trifluoro-1-(3-methyl-1,2-thiazol-5-yl)ethanol?
The IUPAC name of (1R)-2,2,2-trifluoro-1-(3-methyl-1,2-thiazol-5-yl)ethanol (CID 130991631) is (1R)-2,2,2-trifluoro-1-(3-methyl-1,2-thiazol-5-yl)ethanol.
What is the SMILES notation for (1R)-2,2,2-trifluoro-1-(3-methyl-1,2-thiazol-5-yl)ethanol?
The canonical SMILES for (1R)-2,2,2-trifluoro-1-(3-methyl-1,2-thiazol-5-yl)ethanol is Cc1cc([C@H](O)C(F)(F)F)sn1.
What is the InChIKey of (1R)-2,2,2-trifluoro-1-(3-methyl-1,2-thiazol-5-yl)ethanol?
The InChIKey is XLMRZJRDHWAMCX-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H6F3NOS/c1-3-2-4(12-10-3)5(11)6(7,8)9/h2,5,11H,1H3/t5-/m0/s1.
What are the key properties of (1R)-2,2,2-trifluoro-1-(3-methyl-1,2-thiazol-5-yl)ethanol?
(1R)-2,2,2-trifluoro-1-(3-methyl-1,2-thiazol-5-yl)ethanol has a molecular weight of 197.18 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2,2-trifluoro-1-(3-methyl-1,2-thiazol-5-yl)ethanol is sourced from PubChem (CID 130991631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).