(1R)-2,2,2-trifluoro-1-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]ethanol

C10H8F6O2 — CID 129388575

IUPAC(1R)-2,2,2-trifluoro-1-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]ethanol
SMILESO[C@H](c1ccc([C@@H](O)C(F)(F)F)cc1)C(F)(F)F
InChIInChI=1S/C10H8F6O2/c11-9(12,13)7(17)5-1-2-6(4-3-5)8(18)10(14,15)16/h1-4,7-8,17-18H/t7-,8-/m1/s1
InChIKeyLOOAQKQJMDRIDO-HTQZYQBOSA-N
MW274.16 g/mol
LogP2.88
Rot. Bonds2

About (1R)-2,2,2-trifluoro-1-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]ethanol

(1R)-2,2,2-trifluoro-1-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]ethanol (PubChem CID 129388575) has the molecular formula C10H8F6O2 and a molecular weight of 274.16 g/mol. Its IUPAC name is (1R)-2,2,2-trifluoro-1-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-2,2,2-trifluoro-1-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]ethanol
PubChem CID129388575
Molecular FormulaC10H8F6O2
Molecular Weight274.16 g/mol
Exact Mass274.04
IUPAC Name(1R)-2,2,2-trifluoro-1-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]ethanol
SMILESO[C@H](c1ccc([C@@H](O)C(F)(F)F)cc1)C(F)(F)F
InChIInChI=1S/C10H8F6O2/c11-9(12,13)7(17)5-1-2-6(4-3-5)8(18)10(14,15)16/h1-4,7-8,17-18H/t7-,8-/m1/s1
InChIKeyLOOAQKQJMDRIDO-HTQZYQBOSA-N
XLogP2.88
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R)-2,2,2-trifluoro-1-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]ethanol with MolForge

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Related Compounds

2,2,2-trifluoro-1-(4-sulfanylphenyl)ethanol
CID 90402537
(1S)-2,2,2-trifluoro-1-phenylethanol
CID 1472401
4-[4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]phenol
CID 11021882
1-(4-ethenylphenyl)-2,2,2-trifluoroethanol
CID 20741103
(1S)-1-[4-(dimethylamino)phenyl]-2,2,2-trifluoroethanol
CID 11413331
(2S)-2-[4-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]phenyl]propanoic acid
CID 15941789
1-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]sulfanylpyrrole-2,5-diol
CID 123962628
1-[4-(3-aminopropyl)phenyl]-2,2,2-trifluoroethanol
CID 69251784
(1R)-2,2,2-trifluoro-1-(6-fluoro-3-pyridinyl)ethanol
CID 124707954
(1R)-2,2,2-trifluoro-1-(4-prop-2-enoxyphenyl)ethanol
CID 71494810
2-[4-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]phenyl]propanamide
CID 15942070
2-bromo-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol
CID 83952334

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2,2-trifluoro-1-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]ethanol?
The IUPAC name of (1R)-2,2,2-trifluoro-1-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]ethanol (CID 129388575) is (1R)-2,2,2-trifluoro-1-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]ethanol.
What is the SMILES notation for (1R)-2,2,2-trifluoro-1-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]ethanol?
The canonical SMILES for (1R)-2,2,2-trifluoro-1-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]ethanol is O[C@H](c1ccc([C@@H](O)C(F)(F)F)cc1)C(F)(F)F.
What is the InChIKey of (1R)-2,2,2-trifluoro-1-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]ethanol?
The InChIKey is LOOAQKQJMDRIDO-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H8F6O2/c11-9(12,13)7(17)5-1-2-6(4-3-5)8(18)10(14,15)16/h1-4,7-8,17-18H/t7-,8-/m1/s1.
What are the key properties of (1R)-2,2,2-trifluoro-1-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]ethanol?
(1R)-2,2,2-trifluoro-1-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]ethanol has a molecular weight of 274.16 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2,2-trifluoro-1-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]ethanol is sourced from PubChem (CID 129388575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).