4-[(2R)-2-chloro-1,1,2-trifluoroethoxy]phenol

C8H6ClF3O2 — CID 26596565

IUPAC4-[(2R)-2-chloro-1,1,2-trifluoroethoxy]phenol
SMILESOc1ccc(OC(F)(F)[C@H](F)Cl)cc1
InChIInChI=1S/C8H6ClF3O2/c9-7(10)8(11,12)14-6-3-1-5(13)2-4-6/h1-4,7,13H/t7-/m0/s1
InChIKeyIHSZEBVZILGPJR-ZETCQYMHSA-N
MW226.58 g/mol
LogP2.90
Rot. Bonds3

About 4-[(2R)-2-chloro-1,1,2-trifluoroethoxy]phenol

4-[(2R)-2-chloro-1,1,2-trifluoroethoxy]phenol (PubChem CID 26596565) has the molecular formula C8H6ClF3O2 and a molecular weight of 226.58 g/mol. Its IUPAC name is 4-[(2R)-2-chloro-1,1,2-trifluoroethoxy]phenol.

Molecular Properties

Compound Name4-[(2R)-2-chloro-1,1,2-trifluoroethoxy]phenol
PubChem CID26596565
Molecular FormulaC8H6ClF3O2
Molecular Weight226.58 g/mol
Exact Mass226.00
IUPAC Name4-[(2R)-2-chloro-1,1,2-trifluoroethoxy]phenol
SMILESOc1ccc(OC(F)(F)[C@H](F)Cl)cc1
InChIInChI=1S/C8H6ClF3O2/c9-7(10)8(11,12)14-6-3-1-5(13)2-4-6/h1-4,7,13H/t7-/m0/s1
InChIKeyIHSZEBVZILGPJR-ZETCQYMHSA-N
XLogP2.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.58
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chloro-1,1,2-trifluoroethoxy)-4-(4-methylphenyl)benzene
CID 20668720
4-[4-(2-chloro-1,1,2-trifluoroethoxy)phenoxy]aniline
CID 71414939
2-bromo-4-(2-chloro-1,1,2-trifluoroethoxy)phenol
CID 13228506
4-[chloro(difluoro)methoxy]phenol
CID 13253418
2-chloro-5-(2-chloro-1,1,2-trifluoroethoxy)aniline
CID 44717352
(E)-4-[4-(2-chloro-1,1,2-trifluoroethoxy)anilino]-4-oxobut-2-enoic acid
CID 46861363
4-(trichloromethoxy)phenol
CID 21200770
2,4-bis(2-chloro-1,1,2-trifluoroethoxy)benzoyl chloride
CID 20530643
3-chloro-4-[4-(2-chloro-1,1,2-trifluoroethoxy)phenoxy]aniline
CID 70464458
2-[2-(1-chlorocyclopropyl)-2-[4-(2-chloro-1,1,2-trifluoroethoxy)phenyl]ethenyl]oxirane
CID 54401339
N-[4-(2-chloro-1,1,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide
CID 21203373
3-(2,2-dichloro-1,1-difluoroethoxy)phenol
CID 154087912

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-chloro-1,1,2-trifluoroethoxy]phenol?
The IUPAC name of 4-[(2R)-2-chloro-1,1,2-trifluoroethoxy]phenol (CID 26596565) is 4-[(2R)-2-chloro-1,1,2-trifluoroethoxy]phenol.
What is the SMILES notation for 4-[(2R)-2-chloro-1,1,2-trifluoroethoxy]phenol?
The canonical SMILES for 4-[(2R)-2-chloro-1,1,2-trifluoroethoxy]phenol is Oc1ccc(OC(F)(F)[C@H](F)Cl)cc1.
What is the InChIKey of 4-[(2R)-2-chloro-1,1,2-trifluoroethoxy]phenol?
The InChIKey is IHSZEBVZILGPJR-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H6ClF3O2/c9-7(10)8(11,12)14-6-3-1-5(13)2-4-6/h1-4,7,13H/t7-/m0/s1.
What are the key properties of 4-[(2R)-2-chloro-1,1,2-trifluoroethoxy]phenol?
4-[(2R)-2-chloro-1,1,2-trifluoroethoxy]phenol has a molecular weight of 226.58 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-chloro-1,1,2-trifluoroethoxy]phenol is sourced from PubChem (CID 26596565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).