(1R)-1-[[4-(trifluoromethyl)phenyl]methoxy]ethanol

C10H11F3O2 — CID 162576270

IUPAC(1R)-1-[[4-(trifluoromethyl)phenyl]methoxy]ethanol
SMILESC[C@H](O)OCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H11F3O2/c1-7(14)15-6-8-2-4-9(5-3-8)10(11,12)13/h2-5,7,14H,6H2,1H3/t7-/m1/s1
InChIKeyCDGRPJDBQUVSGS-SSDOTTSWSA-N
MW220.19 g/mol
LogP2.56
Rot. Bonds3

About (1R)-1-[[4-(trifluoromethyl)phenyl]methoxy]ethanol

(1R)-1-[[4-(trifluoromethyl)phenyl]methoxy]ethanol (PubChem CID 162576270) has the molecular formula C10H11F3O2 and a molecular weight of 220.19 g/mol. Its IUPAC name is (1R)-1-[[4-(trifluoromethyl)phenyl]methoxy]ethanol.

Molecular Properties

Compound Name(1R)-1-[[4-(trifluoromethyl)phenyl]methoxy]ethanol
PubChem CID162576270
Molecular FormulaC10H11F3O2
Molecular Weight220.19 g/mol
Exact Mass220.07
IUPAC Name(1R)-1-[[4-(trifluoromethyl)phenyl]methoxy]ethanol
SMILESC[C@H](O)OCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H11F3O2/c1-7(14)15-6-8-2-4-9(5-3-8)10(11,12)13/h2-5,7,14H,6H2,1H3/t7-/m1/s1
InChIKeyCDGRPJDBQUVSGS-SSDOTTSWSA-N
XLogP2.56
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[[4-(trifluoromethyl)phenyl]methoxy]ethanol?
The IUPAC name of (1R)-1-[[4-(trifluoromethyl)phenyl]methoxy]ethanol (CID 162576270) is (1R)-1-[[4-(trifluoromethyl)phenyl]methoxy]ethanol.
What is the SMILES notation for (1R)-1-[[4-(trifluoromethyl)phenyl]methoxy]ethanol?
The canonical SMILES for (1R)-1-[[4-(trifluoromethyl)phenyl]methoxy]ethanol is C[C@H](O)OCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of (1R)-1-[[4-(trifluoromethyl)phenyl]methoxy]ethanol?
The InChIKey is CDGRPJDBQUVSGS-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H11F3O2/c1-7(14)15-6-8-2-4-9(5-3-8)10(11,12)13/h2-5,7,14H,6H2,1H3/t7-/m1/s1.
What are the key properties of (1R)-1-[[4-(trifluoromethyl)phenyl]methoxy]ethanol?
(1R)-1-[[4-(trifluoromethyl)phenyl]methoxy]ethanol has a molecular weight of 220.19 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[[4-(trifluoromethyl)phenyl]methoxy]ethanol is sourced from PubChem (CID 162576270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).