(5S)-3,3,4,4-tetrafluoro-5-(phenylmethoxymethyl)oxolan-2-ol

C12H12F4O3 — CID 134857658

IUPAC(5S)-3,3,4,4-tetrafluoro-5-(phenylmethoxymethyl)oxolan-2-ol
SMILESOC1O[C@@H](COCc2ccccc2)C(F)(F)C1(F)F
InChIInChI=1S/C12H12F4O3/c13-11(14)9(19-10(17)12(11,15)16)7-18-6-8-4-2-1-3-5-8/h1-5,9-10,17H,6-7H2/t9-,10?/m0/s1
InChIKeyMUIWYDDNRZNSPV-RGURZIINSA-N
MW280.22 g/mol
LogP2.19
Rot. Bonds4

About (5S)-3,3,4,4-tetrafluoro-5-(phenylmethoxymethyl)oxolan-2-ol

(5S)-3,3,4,4-tetrafluoro-5-(phenylmethoxymethyl)oxolan-2-ol (PubChem CID 134857658) has the molecular formula C12H12F4O3 and a molecular weight of 280.22 g/mol. Its IUPAC name is (5S)-3,3,4,4-tetrafluoro-5-(phenylmethoxymethyl)oxolan-2-ol.

Molecular Properties

Compound Name(5S)-3,3,4,4-tetrafluoro-5-(phenylmethoxymethyl)oxolan-2-ol
PubChem CID134857658
Molecular FormulaC12H12F4O3
Molecular Weight280.22 g/mol
Exact Mass280.07
IUPAC Name(5S)-3,3,4,4-tetrafluoro-5-(phenylmethoxymethyl)oxolan-2-ol
SMILESOC1O[C@@H](COCc2ccccc2)C(F)(F)C1(F)F
InChIInChI=1S/C12H12F4O3/c13-11(14)9(19-10(17)12(11,15)16)7-18-6-8-4-2-1-3-5-8/h1-5,9-10,17H,6-7H2/t9-,10?/m0/s1
InChIKeyMUIWYDDNRZNSPV-RGURZIINSA-N
XLogP2.19
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.22
LogP ≤ 52.19
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

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Benzyl Alpha-D-Mannopyranoside
CID 10956572
2,4-O-Benzylidenehexitol
CID 247001
Benzyl beta-D-ribofuranoside
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1,3-Dioxolane, 4,5-dimethyl-2-phenyl-
CID 221639
(-)-(2S,4S)-1-Benzyloxy-6,6-dimethoxy-hexane-2,4-diol
CID 16746012

Frequently Asked Questions

What is the IUPAC name of (5S)-3,3,4,4-tetrafluoro-5-(phenylmethoxymethyl)oxolan-2-ol?
The IUPAC name of (5S)-3,3,4,4-tetrafluoro-5-(phenylmethoxymethyl)oxolan-2-ol (CID 134857658) is (5S)-3,3,4,4-tetrafluoro-5-(phenylmethoxymethyl)oxolan-2-ol.
What is the SMILES notation for (5S)-3,3,4,4-tetrafluoro-5-(phenylmethoxymethyl)oxolan-2-ol?
The canonical SMILES for (5S)-3,3,4,4-tetrafluoro-5-(phenylmethoxymethyl)oxolan-2-ol is OC1O[C@@H](COCc2ccccc2)C(F)(F)C1(F)F.
What is the InChIKey of (5S)-3,3,4,4-tetrafluoro-5-(phenylmethoxymethyl)oxolan-2-ol?
The InChIKey is MUIWYDDNRZNSPV-RGURZIINSA-N. The full InChI is InChI=1S/C12H12F4O3/c13-11(14)9(19-10(17)12(11,15)16)7-18-6-8-4-2-1-3-5-8/h1-5,9-10,17H,6-7H2/t9-,10?/m0/s1.
What are the key properties of (5S)-3,3,4,4-tetrafluoro-5-(phenylmethoxymethyl)oxolan-2-ol?
(5S)-3,3,4,4-tetrafluoro-5-(phenylmethoxymethyl)oxolan-2-ol has a molecular weight of 280.22 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3,3,4,4-tetrafluoro-5-(phenylmethoxymethyl)oxolan-2-ol is sourced from PubChem (CID 134857658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).