(2R,3R,4R)-4-fluoro-5-imino-1,3-bis(phenylmethoxy)pentan-2-ol

C19H22FNO3 — CID 146406666

IUPAC(2R,3R,4R)-4-fluoro-5-imino-1,3-bis(phenylmethoxy)pentan-2-ol
SMILES[H]/N=C/[C@@H](F)[C@H](OCc1ccccc1)[C@H](O)COCc1ccccc1
InChIInChI=1S/C19H22FNO3/c20-17(11-21)19(24-13-16-9-5-2-6-10-16)18(22)14-23-12-15-7-3-1-4-8-15/h1-11,17-19,21-22H,12-14H2/b21-11+/t17-,18-,19+/m1/s1
InChIKeyDMZGWQJTNPIMPP-IAFJLWCJSA-N
MW331.39 g/mol
LogP3.14
Rot. Bonds10

About (2R,3R,4R)-4-fluoro-5-imino-1,3-bis(phenylmethoxy)pentan-2-ol

(2R,3R,4R)-4-fluoro-5-imino-1,3-bis(phenylmethoxy)pentan-2-ol (PubChem CID 146406666) has the molecular formula C19H22FNO3 and a molecular weight of 331.39 g/mol. Its IUPAC name is (2R,3R,4R)-4-fluoro-5-imino-1,3-bis(phenylmethoxy)pentan-2-ol.

Molecular Properties

Compound Name(2R,3R,4R)-4-fluoro-5-imino-1,3-bis(phenylmethoxy)pentan-2-ol
PubChem CID146406666
Molecular FormulaC19H22FNO3
Molecular Weight331.39 g/mol
Exact Mass331.16
IUPAC Name(2R,3R,4R)-4-fluoro-5-imino-1,3-bis(phenylmethoxy)pentan-2-ol
SMILES[H]/N=C/[C@@H](F)[C@H](OCc1ccccc1)[C@H](O)COCc1ccccc1
InChIInChI=1S/C19H22FNO3/c20-17(11-21)19(24-13-16-9-5-2-6-10-16)18(22)14-23-12-15-7-3-1-4-8-15/h1-11,17-19,21-22H,12-14H2/b21-11+/t17-,18-,19+/m1/s1
InChIKeyDMZGWQJTNPIMPP-IAFJLWCJSA-N
XLogP3.14
TPSA62.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R,4R,5R)-1,3,4,6-tetrakis(phenylmethoxy)hexane-2,5-diol
CID 15673926
(2R,3R,4R)-1,3-bis(phenylmethoxy)pentane-2,4-diol
CID 11067059
(2R,3R,4R)-4-fluoro-5-methoxyimino-1,3-bis(phenylmethoxy)pentan-2-ol
CID 131734110
(2S,3S,4R)-3,5-bis(phenylmethoxy)pentane-1,2,4-triol
CID 101350837
(2R,3R,4R,5R)-2,5-dihydroxy-3,4,6-tris(phenylmethoxy)hexanal
CID 87261996
(2R,3S,4R,5S)-1,3,4,5-tetrakis(phenylmethoxy)hept-6-en-2-ol
CID 11827633
(2R,3S,4R)-5,5-bis(benzylsulfanyl)-1,3,4-tris(phenylmethoxy)pentan-2-ol
CID 10580114
(2R,3S,4R,5S)-6-amino-1,3,4,5-tetrakis(phenylmethoxy)hexan-2-ol
CID 101237223
3-fluoro-1,5,5-tris(phenylmethoxy)pentan-2-ol
CID 19925871
(2R,3R,4R,5E)-1,3,4-tris(phenylmethoxy)-5-phenylmethoxyiminopentan-2-ol
CID 10602182
(2R,3R,4R,5R)-1,6-bis(phenylmethoxy)hexane-2,3,4,5-tetrol
CID 10713667
(2R,3R,4R,5E)-5-methoxyimino-1,3,4-tris(phenylmethoxy)pentan-2-ol
CID 118108863

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-4-fluoro-5-imino-1,3-bis(phenylmethoxy)pentan-2-ol?
The IUPAC name of (2R,3R,4R)-4-fluoro-5-imino-1,3-bis(phenylmethoxy)pentan-2-ol (CID 146406666) is (2R,3R,4R)-4-fluoro-5-imino-1,3-bis(phenylmethoxy)pentan-2-ol.
What is the SMILES notation for (2R,3R,4R)-4-fluoro-5-imino-1,3-bis(phenylmethoxy)pentan-2-ol?
The canonical SMILES for (2R,3R,4R)-4-fluoro-5-imino-1,3-bis(phenylmethoxy)pentan-2-ol is [H]/N=C/[C@@H](F)[C@H](OCc1ccccc1)[C@H](O)COCc1ccccc1.
What is the InChIKey of (2R,3R,4R)-4-fluoro-5-imino-1,3-bis(phenylmethoxy)pentan-2-ol?
The InChIKey is DMZGWQJTNPIMPP-IAFJLWCJSA-N. The full InChI is InChI=1S/C19H22FNO3/c20-17(11-21)19(24-13-16-9-5-2-6-10-16)18(22)14-23-12-15-7-3-1-4-8-15/h1-11,17-19,21-22H,12-14H2/b21-11+/t17-,18-,19+/m1/s1.
What are the key properties of (2R,3R,4R)-4-fluoro-5-imino-1,3-bis(phenylmethoxy)pentan-2-ol?
(2R,3R,4R)-4-fluoro-5-imino-1,3-bis(phenylmethoxy)pentan-2-ol has a molecular weight of 331.39 g/mol, XLogP of 3.14, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-4-fluoro-5-imino-1,3-bis(phenylmethoxy)pentan-2-ol is sourced from PubChem (CID 146406666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).