(1R)-1-[2-(2,2,2-trifluoroethoxy)phenyl]propan-1-ol

C11H13F3O2 — CID 63365266

IUPAC(1R)-1-[2-(2,2,2-trifluoroethoxy)phenyl]propan-1-ol
SMILESCC[C@@H](O)c1ccccc1OCC(F)(F)F
InChIInChI=1S/C11H13F3O2/c1-2-9(15)8-5-3-4-6-10(8)16-7-11(12,13)14/h3-6,9,15H,2,7H2,1H3/t9-/m1/s1
InChIKeyOAKJZNSZXRQMBN-SECBINFHSA-N
MW234.22 g/mol
LogP3.07
Rot. Bonds4

About (1R)-1-[2-(2,2,2-trifluoroethoxy)phenyl]propan-1-ol

(1R)-1-[2-(2,2,2-trifluoroethoxy)phenyl]propan-1-ol (PubChem CID 63365266) has the molecular formula C11H13F3O2 and a molecular weight of 234.22 g/mol. Its IUPAC name is (1R)-1-[2-(2,2,2-trifluoroethoxy)phenyl]propan-1-ol.

Molecular Properties

Compound Name(1R)-1-[2-(2,2,2-trifluoroethoxy)phenyl]propan-1-ol
PubChem CID63365266
Molecular FormulaC11H13F3O2
Molecular Weight234.22 g/mol
Exact Mass234.09
IUPAC Name(1R)-1-[2-(2,2,2-trifluoroethoxy)phenyl]propan-1-ol
SMILESCC[C@@H](O)c1ccccc1OCC(F)(F)F
InChIInChI=1S/C11H13F3O2/c1-2-9(15)8-5-3-4-6-10(8)16-7-11(12,13)14/h3-6,9,15H,2,7H2,1H3/t9-/m1/s1
InChIKeyOAKJZNSZXRQMBN-SECBINFHSA-N
XLogP3.07
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[2-(3,3,3-trifluoropropoxy)phenyl]propan-1-ol
CID 78996550
1-[2-[(1R)-1-hydroxypropyl]phenoxy]-2-methylpropan-2-ol
CID 78930642
1-[2-(1-hydroxypropyl)phenoxy]-2-phenylpropan-2-ol
CID 62374016
3-[2-(1-hydroxypropyl)phenoxy]-2,2-dimethylpropanoic acid
CID 79624419
2-[2-(1-hydroxypropyl)phenoxy]acetamide
CID 43503607
(1S)-1-[2-(difluoromethoxy)phenyl]propan-1-ol
CID 78930737
(1S)-1-(2-phenylmethoxyphenyl)propan-1-ol
CID 63365062
1-(1-methylsulfanylethyl)-2-(2,2,2-trifluoroethoxy)benzene
CID 147194689
(1S)-1-(2-hexoxyphenyl)propan-1-ol
CID 78930140
1-(2-heptoxyphenyl)propan-1-ol
CID 43503487
(1S)-1-(2-prop-2-ynoxyphenyl)propan-1-ol
CID 63365133
(1S)-1-(2-heptoxyphenyl)propan-1-ol
CID 78944609

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(2,2,2-trifluoroethoxy)phenyl]propan-1-ol?
The IUPAC name of (1R)-1-[2-(2,2,2-trifluoroethoxy)phenyl]propan-1-ol (CID 63365266) is (1R)-1-[2-(2,2,2-trifluoroethoxy)phenyl]propan-1-ol.
What is the SMILES notation for (1R)-1-[2-(2,2,2-trifluoroethoxy)phenyl]propan-1-ol?
The canonical SMILES for (1R)-1-[2-(2,2,2-trifluoroethoxy)phenyl]propan-1-ol is CC[C@@H](O)c1ccccc1OCC(F)(F)F.
What is the InChIKey of (1R)-1-[2-(2,2,2-trifluoroethoxy)phenyl]propan-1-ol?
The InChIKey is OAKJZNSZXRQMBN-SECBINFHSA-N. The full InChI is InChI=1S/C11H13F3O2/c1-2-9(15)8-5-3-4-6-10(8)16-7-11(12,13)14/h3-6,9,15H,2,7H2,1H3/t9-/m1/s1.
What are the key properties of (1R)-1-[2-(2,2,2-trifluoroethoxy)phenyl]propan-1-ol?
(1R)-1-[2-(2,2,2-trifluoroethoxy)phenyl]propan-1-ol has a molecular weight of 234.22 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(2,2,2-trifluoroethoxy)phenyl]propan-1-ol is sourced from PubChem (CID 63365266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).