(2R,3R,4S)-1,3-bis[(4-chlorophenyl)methoxy]-4-fluoro-5-methoxyiminopentan-2-ol

C20H22Cl2FNO4 — CID 118108782

IUPAC(2R,3R,4S)-1,3-bis[(4-chlorophenyl)methoxy]-4-fluoro-5-methoxyiminopentan-2-ol
SMILESCON=C[C@H](F)[C@H](OCc1ccc(Cl)cc1)[C@H](O)COCc1ccc(Cl)cc1
InChIInChI=1S/C20H22Cl2FNO4/c1-26-24-10-18(23)20(28-12-15-4-8-17(22)9-5-15)19(25)13-27-11-14-2-6-16(21)7-3-14/h2-10,18-20,25H,11-13H2,1H3/t18-,19+,20-/m0/s1
InChIKeyMKFVVDQJOMODGW-ZCNNSNEGSA-N
MW430.30 g/mol
LogP4.43
Rot. Bonds11

About (2R,3R,4S)-1,3-bis[(4-chlorophenyl)methoxy]-4-fluoro-5-methoxyiminopentan-2-ol

(2R,3R,4S)-1,3-bis[(4-chlorophenyl)methoxy]-4-fluoro-5-methoxyiminopentan-2-ol (PubChem CID 118108782) has the molecular formula C20H22Cl2FNO4 and a molecular weight of 430.30 g/mol. Its IUPAC name is (2R,3R,4S)-1,3-bis[(4-chlorophenyl)methoxy]-4-fluoro-5-methoxyiminopentan-2-ol.

Molecular Properties

Compound Name(2R,3R,4S)-1,3-bis[(4-chlorophenyl)methoxy]-4-fluoro-5-methoxyiminopentan-2-ol
PubChem CID118108782
Molecular FormulaC20H22Cl2FNO4
Molecular Weight430.30 g/mol
Exact Mass429.09
IUPAC Name(2R,3R,4S)-1,3-bis[(4-chlorophenyl)methoxy]-4-fluoro-5-methoxyiminopentan-2-ol
SMILESCON=C[C@H](F)[C@H](OCc1ccc(Cl)cc1)[C@H](O)COCc1ccc(Cl)cc1
InChIInChI=1S/C20H22Cl2FNO4/c1-26-24-10-18(23)20(28-12-15-4-8-17(22)9-5-15)19(25)13-27-11-14-2-6-16(21)7-3-14/h2-10,18-20,25H,11-13H2,1H3/t18-,19+,20-/m0/s1
InChIKeyMKFVVDQJOMODGW-ZCNNSNEGSA-N
XLogP4.43
TPSA60.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.30
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S)-1,3-bis[(4-chlorophenyl)methoxy]-4-fluoro-5-methoxyiminopentan-2-ol?
The IUPAC name of (2R,3R,4S)-1,3-bis[(4-chlorophenyl)methoxy]-4-fluoro-5-methoxyiminopentan-2-ol (CID 118108782) is (2R,3R,4S)-1,3-bis[(4-chlorophenyl)methoxy]-4-fluoro-5-methoxyiminopentan-2-ol.
What is the SMILES notation for (2R,3R,4S)-1,3-bis[(4-chlorophenyl)methoxy]-4-fluoro-5-methoxyiminopentan-2-ol?
The canonical SMILES for (2R,3R,4S)-1,3-bis[(4-chlorophenyl)methoxy]-4-fluoro-5-methoxyiminopentan-2-ol is CON=C[C@H](F)[C@H](OCc1ccc(Cl)cc1)[C@H](O)COCc1ccc(Cl)cc1.
What is the InChIKey of (2R,3R,4S)-1,3-bis[(4-chlorophenyl)methoxy]-4-fluoro-5-methoxyiminopentan-2-ol?
The InChIKey is MKFVVDQJOMODGW-ZCNNSNEGSA-N. The full InChI is InChI=1S/C20H22Cl2FNO4/c1-26-24-10-18(23)20(28-12-15-4-8-17(22)9-5-15)19(25)13-27-11-14-2-6-16(21)7-3-14/h2-10,18-20,25H,11-13H2,1H3/t18-,19+,20-/m0/s1.
What are the key properties of (2R,3R,4S)-1,3-bis[(4-chlorophenyl)methoxy]-4-fluoro-5-methoxyiminopentan-2-ol?
(2R,3R,4S)-1,3-bis[(4-chlorophenyl)methoxy]-4-fluoro-5-methoxyiminopentan-2-ol has a molecular weight of 430.30 g/mol, XLogP of 4.43, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S)-1,3-bis[(4-chlorophenyl)methoxy]-4-fluoro-5-methoxyiminopentan-2-ol is sourced from PubChem (CID 118108782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).