(2R)-1-(4-phenylphenoxy)-3-(1,1,2,2-tetrafluoroethoxy)propan-2-ol

C17H16F4O3 — CID 101048885

IUPAC(2R)-1-(4-phenylphenoxy)-3-(1,1,2,2-tetrafluoroethoxy)propan-2-ol
SMILESO[C@H](COc1ccc(-c2ccccc2)cc1)COC(F)(F)C(F)F
InChIInChI=1S/C17H16F4O3/c18-16(19)17(20,21)24-11-14(22)10-23-15-8-6-13(7-9-15)12-4-2-1-3-5-12/h1-9,14,16,22H,10-11H2/t14-/m1/s1
InChIKeySJCOIEGDEMGZRY-CQSZACIVSA-N
MW344.30 g/mol
LogP3.97
Rot. Bonds8

About (2R)-1-(4-phenylphenoxy)-3-(1,1,2,2-tetrafluoroethoxy)propan-2-ol

(2R)-1-(4-phenylphenoxy)-3-(1,1,2,2-tetrafluoroethoxy)propan-2-ol (PubChem CID 101048885) has the molecular formula C17H16F4O3 and a molecular weight of 344.30 g/mol. Its IUPAC name is (2R)-1-(4-phenylphenoxy)-3-(1,1,2,2-tetrafluoroethoxy)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(4-phenylphenoxy)-3-(1,1,2,2-tetrafluoroethoxy)propan-2-ol
PubChem CID101048885
Molecular FormulaC17H16F4O3
Molecular Weight344.30 g/mol
Exact Mass344.10
IUPAC Name(2R)-1-(4-phenylphenoxy)-3-(1,1,2,2-tetrafluoroethoxy)propan-2-ol
SMILESO[C@H](COc1ccc(-c2ccccc2)cc1)COC(F)(F)C(F)F
InChIInChI=1S/C17H16F4O3/c18-16(19)17(20,21)24-11-14(22)10-23-15-8-6-13(7-9-15)12-4-2-1-3-5-12/h1-9,14,16,22H,10-11H2/t14-/m1/s1
InChIKeySJCOIEGDEMGZRY-CQSZACIVSA-N
XLogP3.97
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.30
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-hydroxy-3-(4-phenylphenoxy)propyl] carbamate
CID 165353807
(2R)-1-bromo-3-(4-phenylphenoxy)propan-2-ol
CID 101048888
[(2S)-2-hydroxy-3-(4-phenylphenoxy)propyl]-trimethylazanium
CID 51859248
3-[4-(N-[4-(2,3-dihydroxypropoxy)phenyl]-4-phenylanilino)phenoxy]propane-1,2-diol
CID 58892567
[(2R)-2-hydroxy-3-(4-phenylphenoxy)propyl]-prop-2-ynylazanium
CID 2560126
(2R)-1-fluoro-3-phenoxypropan-2-ol
CID 100942917
(2S)-1-(4-phenylphenoxy)-3-(pyridin-2-ylamino)propan-2-ol
CID 51567729
1,3-bis(4-phenylmethoxyphenoxy)propan-2-ol
CID 3030941
2-[3-[4-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propoxy]phenyl]phenyl]acetic acid
CID 59219327
(2S)-1-[4-[2-[4-[(2S)-2-hydroxy-3-phenoxypropoxy]phenyl]propan-2-yl]phenoxy]-3-phenoxypropan-2-ol
CID 92974246
(2S)-1-[4-[2-[4-[(2R)-2-hydroxy-3-phenoxypropoxy]phenyl]propan-2-yl]phenoxy]-3-phenoxypropan-2-ol
CID 92974245
benzyl-[2-hydroxy-3-(4-phenylphenoxy)propyl]-dimethylazanium
CID 91670455

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-phenylphenoxy)-3-(1,1,2,2-tetrafluoroethoxy)propan-2-ol?
The IUPAC name of (2R)-1-(4-phenylphenoxy)-3-(1,1,2,2-tetrafluoroethoxy)propan-2-ol (CID 101048885) is (2R)-1-(4-phenylphenoxy)-3-(1,1,2,2-tetrafluoroethoxy)propan-2-ol.
What is the SMILES notation for (2R)-1-(4-phenylphenoxy)-3-(1,1,2,2-tetrafluoroethoxy)propan-2-ol?
The canonical SMILES for (2R)-1-(4-phenylphenoxy)-3-(1,1,2,2-tetrafluoroethoxy)propan-2-ol is O[C@H](COc1ccc(-c2ccccc2)cc1)COC(F)(F)C(F)F.
What is the InChIKey of (2R)-1-(4-phenylphenoxy)-3-(1,1,2,2-tetrafluoroethoxy)propan-2-ol?
The InChIKey is SJCOIEGDEMGZRY-CQSZACIVSA-N. The full InChI is InChI=1S/C17H16F4O3/c18-16(19)17(20,21)24-11-14(22)10-23-15-8-6-13(7-9-15)12-4-2-1-3-5-12/h1-9,14,16,22H,10-11H2/t14-/m1/s1.
What are the key properties of (2R)-1-(4-phenylphenoxy)-3-(1,1,2,2-tetrafluoroethoxy)propan-2-ol?
(2R)-1-(4-phenylphenoxy)-3-(1,1,2,2-tetrafluoroethoxy)propan-2-ol has a molecular weight of 344.30 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-phenylphenoxy)-3-(1,1,2,2-tetrafluoroethoxy)propan-2-ol is sourced from PubChem (CID 101048885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).