(2R,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-difluoro-4-phenylmethoxybutane-1,2-diol

C16H22F2O5 — CID 11461711

IUPAC(2R,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-difluoro-4-phenylmethoxybutane-1,2-diol
SMILESCC1(C)OC[C@H]([C@@H](OCc2ccccc2)C(F)(F)[C@H](O)CO)O1
InChIInChI=1S/C16H22F2O5/c1-15(2)22-10-12(23-15)14(16(17,18)13(20)8-19)21-9-11-6-4-3-5-7-11/h3-7,12-14,19-20H,8-10H2,1-2H3/t12-,13-,14-/m1/s1
InChIKeyWBULRMYOIGHEJC-MGPQQGTHSA-N
MW332.34 g/mol
LogP1.71
Rot. Bonds7

About (2R,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-difluoro-4-phenylmethoxybutane-1,2-diol

(2R,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-difluoro-4-phenylmethoxybutane-1,2-diol (PubChem CID 11461711) has the molecular formula C16H22F2O5 and a molecular weight of 332.34 g/mol. Its IUPAC name is (2R,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-difluoro-4-phenylmethoxybutane-1,2-diol.

Molecular Properties

Compound Name(2R,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-difluoro-4-phenylmethoxybutane-1,2-diol
PubChem CID11461711
Molecular FormulaC16H22F2O5
Molecular Weight332.34 g/mol
Exact Mass332.14
IUPAC Name(2R,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-difluoro-4-phenylmethoxybutane-1,2-diol
SMILESCC1(C)OC[C@H]([C@@H](OCc2ccccc2)C(F)(F)[C@H](O)CO)O1
InChIInChI=1S/C16H22F2O5/c1-15(2)22-10-12(23-15)14(16(17,18)13(20)8-19)21-9-11-6-4-3-5-7-11/h3-7,12-14,19-20H,8-10H2,1-2H3/t12-,13-,14-/m1/s1
InChIKeyWBULRMYOIGHEJC-MGPQQGTHSA-N
XLogP1.71
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-difluoro-4-phenylmethoxybutane-1,2-diol with MolForge

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Launch Full Analysis

Related Compounds

[(2R,4R)-2-acetylsulfanyl-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-difluoro-4-phenylmethoxybutyl] benzoate
CID 135605590
1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-difluoro-4-phenylmethoxybutane-1,2-diol
CID 140772444
(2S,3R,4S)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3,4-tris(phenylmethoxy)butan-1-ol
CID 15385583
(4R)-2,2-dimethyl-4-[(1S,2R)-2-[(2R)-oxiran-2-yl]-1,2-bis(phenylmethoxy)ethyl]-1,3-dioxolane
CID 102375766
(4R)-2,2-dimethyl-4-[(E,1R)-2-methyl-1-phenylmethoxybut-2-enyl]-1,3-dioxolane
CID 15311099
(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[5-(phenylmethoxymethyl)furan-2-yl]methanol
CID 15098486
(2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylmethoxyacetaldehyde
CID 10729339
(1R,2S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-phenylmethoxypent-4-en-2-ol
CID 134906102
(1S)-3-bis(phenylmethoxy)phosphoryl-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-ol
CID 10645786
(4S)-4-[(1R)-1-fluoro-2-phenylmethoxyethyl]-2,2-dimethyl-1,3-dioxolane
CID 140879278
(4R)-2,2-dimethyl-4-[(1S)-1-phenylmethoxybut-3-ynyl]-1,3-dioxolane
CID 146166797
(2R,3S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-3-phenylmethoxybutan-1-ol
CID 10517901

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-difluoro-4-phenylmethoxybutane-1,2-diol?
The IUPAC name of (2R,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-difluoro-4-phenylmethoxybutane-1,2-diol (CID 11461711) is (2R,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-difluoro-4-phenylmethoxybutane-1,2-diol.
What is the SMILES notation for (2R,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-difluoro-4-phenylmethoxybutane-1,2-diol?
The canonical SMILES for (2R,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-difluoro-4-phenylmethoxybutane-1,2-diol is CC1(C)OC[C@H]([C@@H](OCc2ccccc2)C(F)(F)[C@H](O)CO)O1.
What is the InChIKey of (2R,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-difluoro-4-phenylmethoxybutane-1,2-diol?
The InChIKey is WBULRMYOIGHEJC-MGPQQGTHSA-N. The full InChI is InChI=1S/C16H22F2O5/c1-15(2)22-10-12(23-15)14(16(17,18)13(20)8-19)21-9-11-6-4-3-5-7-11/h3-7,12-14,19-20H,8-10H2,1-2H3/t12-,13-,14-/m1/s1.
What are the key properties of (2R,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-difluoro-4-phenylmethoxybutane-1,2-diol?
(2R,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-difluoro-4-phenylmethoxybutane-1,2-diol has a molecular weight of 332.34 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-difluoro-4-phenylmethoxybutane-1,2-diol is sourced from PubChem (CID 11461711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).