(2Z,3S,5S)-2-benzylidene-4,4-difluoro-5-(phenylmethoxymethyl)oxolan-3-ol

C19H18F2O3 — CID 135014548

IUPAC(2Z,3S,5S)-2-benzylidene-4,4-difluoro-5-(phenylmethoxymethyl)oxolan-3-ol
SMILESO[C@H]1/C(=C/c2ccccc2)O[C@@H](COCc2ccccc2)C1(F)F
InChIInChI=1S/C19H18F2O3/c20-19(21)17(13-23-12-15-9-5-2-6-10-15)24-16(18(19)22)11-14-7-3-1-4-8-14/h1-11,17-18,22H,12-13H2/b16-11-/t17-,18-/m0/s1
InChIKeyYBHLHKBSUJRQBZ-JAEPCABDSA-N
MW332.35 g/mol
LogP3.64
Rot. Bonds5

About (2Z,3S,5S)-2-benzylidene-4,4-difluoro-5-(phenylmethoxymethyl)oxolan-3-ol

(2Z,3S,5S)-2-benzylidene-4,4-difluoro-5-(phenylmethoxymethyl)oxolan-3-ol (PubChem CID 135014548) has the molecular formula C19H18F2O3 and a molecular weight of 332.35 g/mol. Its IUPAC name is (2Z,3S,5S)-2-benzylidene-4,4-difluoro-5-(phenylmethoxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2Z,3S,5S)-2-benzylidene-4,4-difluoro-5-(phenylmethoxymethyl)oxolan-3-ol
PubChem CID135014548
Molecular FormulaC19H18F2O3
Molecular Weight332.35 g/mol
Exact Mass332.12
IUPAC Name(2Z,3S,5S)-2-benzylidene-4,4-difluoro-5-(phenylmethoxymethyl)oxolan-3-ol
SMILESO[C@H]1/C(=C/c2ccccc2)O[C@@H](COCc2ccccc2)C1(F)F
InChIInChI=1S/C19H18F2O3/c20-19(21)17(13-23-12-15-9-5-2-6-10-15)24-16(18(19)22)11-14-7-3-1-4-8-14/h1-11,17-18,22H,12-13H2/b16-11-/t17-,18-/m0/s1
InChIKeyYBHLHKBSUJRQBZ-JAEPCABDSA-N
XLogP3.64
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2Z,3S,5S)-2-benzylidene-4,4-difluoro-5-(phenylmethoxymethyl)oxolan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3R,4R,6R)-5,5-difluoro-2-methoxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
CID 86619972
[(1S,3R)-2,2-difluoro-3-(phenylmethoxymethyl)cyclopropyl]-trimethylsilane
CID 10989341
(3R,4S,5R)-3,4-dibenzyl-5-(phenylmethoxymethyl)oxolane-2,3,4-triol
CID 141224072
4-fluoro-2-(phenylmethoxymethyl)oxolane-3,4-diol
CID 142669372
methyl (2S,5R)-5-hydroxy-3-methyl-2-(phenylmethoxymethyl)oxolane-3-carboxylate
CID 91242398
3,3-difluoro-5,6-bis(phenylmethoxy)-4-(phenylmethoxymethyl)cyclohexane-1,2-diol
CID 123956429
(3S,4R,5S,6S)-6-(phenylmethoxymethyl)oxane-2,3,4,5-tetrol
CID 90672360
[(2R,4R,5S,6R)-6-acetyloxy-3,3,5-trifluoro-2-(phenylmethoxymethyl)oxan-4-yl] acetate
CID 54763133
4-(phenylmethoxymethyl)cyclopentane-1,2-diol
CID 12717277
(4S)-4-fluoro-4-(phenylmethoxymethyl)oxolan-2-ol
CID 10966198
2-fluoro-3-(phenylmethoxymethyl)cyclobutan-1-ol
CID 57425831
5,5-difluoro-2,3-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
CID 153362035

Frequently Asked Questions

What is the IUPAC name of (2Z,3S,5S)-2-benzylidene-4,4-difluoro-5-(phenylmethoxymethyl)oxolan-3-ol?
The IUPAC name of (2Z,3S,5S)-2-benzylidene-4,4-difluoro-5-(phenylmethoxymethyl)oxolan-3-ol (CID 135014548) is (2Z,3S,5S)-2-benzylidene-4,4-difluoro-5-(phenylmethoxymethyl)oxolan-3-ol.
What is the SMILES notation for (2Z,3S,5S)-2-benzylidene-4,4-difluoro-5-(phenylmethoxymethyl)oxolan-3-ol?
The canonical SMILES for (2Z,3S,5S)-2-benzylidene-4,4-difluoro-5-(phenylmethoxymethyl)oxolan-3-ol is O[C@H]1/C(=C/c2ccccc2)O[C@@H](COCc2ccccc2)C1(F)F.
What is the InChIKey of (2Z,3S,5S)-2-benzylidene-4,4-difluoro-5-(phenylmethoxymethyl)oxolan-3-ol?
The InChIKey is YBHLHKBSUJRQBZ-JAEPCABDSA-N. The full InChI is InChI=1S/C19H18F2O3/c20-19(21)17(13-23-12-15-9-5-2-6-10-15)24-16(18(19)22)11-14-7-3-1-4-8-14/h1-11,17-18,22H,12-13H2/b16-11-/t17-,18-/m0/s1.
What are the key properties of (2Z,3S,5S)-2-benzylidene-4,4-difluoro-5-(phenylmethoxymethyl)oxolan-3-ol?
(2Z,3S,5S)-2-benzylidene-4,4-difluoro-5-(phenylmethoxymethyl)oxolan-3-ol has a molecular weight of 332.35 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,3S,5S)-2-benzylidene-4,4-difluoro-5-(phenylmethoxymethyl)oxolan-3-ol is sourced from PubChem (CID 135014548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).