(1R)-2,2,2-trifluoro-1-(4-prop-2-enoxyphenyl)ethanol

C11H11F3O2 — CID 71494810

IUPAC(1R)-2,2,2-trifluoro-1-(4-prop-2-enoxyphenyl)ethanol
SMILESC=CCOc1ccc([C@@H](O)C(F)(F)F)cc1
InChIInChI=1S/C11H11F3O2/c1-2-7-16-9-5-3-8(4-6-9)10(15)11(12,13)14/h2-6,10,15H,1,7H2/t10-/m1/s1
InChIKeyBUAYNTGABXSKDI-SNVBAGLBSA-N
MW232.20 g/mol
LogP2.85
Rot. Bonds4

About (1R)-2,2,2-trifluoro-1-(4-prop-2-enoxyphenyl)ethanol

(1R)-2,2,2-trifluoro-1-(4-prop-2-enoxyphenyl)ethanol (PubChem CID 71494810) has the molecular formula C11H11F3O2 and a molecular weight of 232.20 g/mol. Its IUPAC name is (1R)-2,2,2-trifluoro-1-(4-prop-2-enoxyphenyl)ethanol.

Molecular Properties

Compound Name(1R)-2,2,2-trifluoro-1-(4-prop-2-enoxyphenyl)ethanol
PubChem CID71494810
Molecular FormulaC11H11F3O2
Molecular Weight232.20 g/mol
Exact Mass232.07
IUPAC Name(1R)-2,2,2-trifluoro-1-(4-prop-2-enoxyphenyl)ethanol
SMILESC=CCOc1ccc([C@@H](O)C(F)(F)F)cc1
InChIInChI=1S/C11H11F3O2/c1-2-7-16-9-5-3-8(4-6-9)10(15)11(12,13)14/h2-6,10,15H,1,7H2/t10-/m1/s1
InChIKeyBUAYNTGABXSKDI-SNVBAGLBSA-N
XLogP2.85
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(4-ethenylphenyl)-2,2,2-trifluoroethanol
CID 20741103
4-[1,2,2-tris(4-prop-2-enoxyphenyl)ethyl]phenol
CID 118013728
4-(4-prop-2-enoxyphenyl)phenol
CID 14817245
(1R)-1-(4-prop-2-enoxyphenyl)ethanamine
CID 63367601
1-(2,2-dimethylpentan-3-yl)-4-prop-2-enoxybenzene
CID 143199610
(4-prop-2-enoxyphenyl)methanetriol
CID 57095979
4-[4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]phenol
CID 11021882
1-bromo-4-(4-prop-2-enoxyphenyl)benzene
CID 71426317
benzene;4-prop-2-enoxybenzoic acid
CID 174857047
1-(bromomethoxy)-4-prop-2-enoxybenzene
CID 23452925
2,2,2-trifluoro-1-(4-sulfanylphenyl)ethanol
CID 90402537
1,4-bis[2-(4-prop-2-enoxyphenyl)ethenyl]benzene
CID 89211050

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2,2-trifluoro-1-(4-prop-2-enoxyphenyl)ethanol?
The IUPAC name of (1R)-2,2,2-trifluoro-1-(4-prop-2-enoxyphenyl)ethanol (CID 71494810) is (1R)-2,2,2-trifluoro-1-(4-prop-2-enoxyphenyl)ethanol.
What is the SMILES notation for (1R)-2,2,2-trifluoro-1-(4-prop-2-enoxyphenyl)ethanol?
The canonical SMILES for (1R)-2,2,2-trifluoro-1-(4-prop-2-enoxyphenyl)ethanol is C=CCOc1ccc([C@@H](O)C(F)(F)F)cc1.
What is the InChIKey of (1R)-2,2,2-trifluoro-1-(4-prop-2-enoxyphenyl)ethanol?
The InChIKey is BUAYNTGABXSKDI-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H11F3O2/c1-2-7-16-9-5-3-8(4-6-9)10(15)11(12,13)14/h2-6,10,15H,1,7H2/t10-/m1/s1.
What are the key properties of (1R)-2,2,2-trifluoro-1-(4-prop-2-enoxyphenyl)ethanol?
(1R)-2,2,2-trifluoro-1-(4-prop-2-enoxyphenyl)ethanol has a molecular weight of 232.20 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2,2-trifluoro-1-(4-prop-2-enoxyphenyl)ethanol is sourced from PubChem (CID 71494810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).