(3R)-5-azido-4,4-difluoro-3-phenylmethoxypent-1-en-2-ol

C12H13F2N3O2 — CID 140585760

IUPAC(3R)-5-azido-4,4-difluoro-3-phenylmethoxypent-1-en-2-ol
SMILESC=C(O)[C@@H](OCc1ccccc1)C(F)(F)CN=[N+]=[N-]
InChIInChI=1S/C12H13F2N3O2/c1-9(18)11(12(13,14)8-16-17-15)19-7-10-5-3-2-4-6-10/h2-6,11,18H,1,7-8H2/t11-/m1/s1
InChIKeySTIAQIDTERYMRV-LLVKDONJSA-N
MW269.25 g/mol
LogP3.59
Rot. Bonds7

About (3R)-5-azido-4,4-difluoro-3-phenylmethoxypent-1-en-2-ol

(3R)-5-azido-4,4-difluoro-3-phenylmethoxypent-1-en-2-ol (PubChem CID 140585760) has the molecular formula C12H13F2N3O2 and a molecular weight of 269.25 g/mol. Its IUPAC name is (3R)-5-azido-4,4-difluoro-3-phenylmethoxypent-1-en-2-ol.

Molecular Properties

Compound Name(3R)-5-azido-4,4-difluoro-3-phenylmethoxypent-1-en-2-ol
PubChem CID140585760
Molecular FormulaC12H13F2N3O2
Molecular Weight269.25 g/mol
Exact Mass269.10
IUPAC Name(3R)-5-azido-4,4-difluoro-3-phenylmethoxypent-1-en-2-ol
SMILESC=C(O)[C@@H](OCc1ccccc1)C(F)(F)CN=[N+]=[N-]
InChIInChI=1S/C12H13F2N3O2/c1-9(18)11(12(13,14)8-16-17-15)19-7-10-5-3-2-4-6-10/h2-6,11,18H,1,7-8H2/t11-/m1/s1
InChIKeySTIAQIDTERYMRV-LLVKDONJSA-N
XLogP3.59
TPSA78.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze (3R)-5-azido-4,4-difluoro-3-phenylmethoxypent-1-en-2-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

1,6-diazido-3,4-bis(phenylmethoxy)hexane-2,5-diol
CID 59824366
1-[[(1R)-2-azido-1-phenylethoxy]methyl]-4-(2-phenylethyl)benzene
CID 122533474
1-[(2-azido-1-phenylethoxy)methyl]-4-tert-butylbenzene
CID 122470315
3-azido-2-phenylmethoxypropanal
CID 130004617
azidomethoxymethylbenzene
CID 11171149
1-[[2-azido-1-(4-chlorophenyl)ethoxy]methyl]-4-(2-phenylethyl)benzene
CID 122533467
(2R,3R)-4-azido-3-methyl-2-phenylmethoxybutanoic acid
CID 157294780
2-azidoethoxymethylbenzene
CID 11116596
3-(azidomethyl)-1,5-diphenylpentan-3-ol
CID 22910028
methyl (2R)-3,3,3-trifluoro-2-phenylmethoxypropanoate
CID 102059602
2-(7-azidoheptanoylamino)-2-phenylmethoxyacetic acid
CID 101093773
1-[[(1R)-2-azido-1-phenylethoxy]methyl]-4-(2-cyclopentylethyl)benzene
CID 122533485

Frequently Asked Questions

What is the IUPAC name of (3R)-5-azido-4,4-difluoro-3-phenylmethoxypent-1-en-2-ol?
The IUPAC name of (3R)-5-azido-4,4-difluoro-3-phenylmethoxypent-1-en-2-ol (CID 140585760) is (3R)-5-azido-4,4-difluoro-3-phenylmethoxypent-1-en-2-ol.
What is the SMILES notation for (3R)-5-azido-4,4-difluoro-3-phenylmethoxypent-1-en-2-ol?
The canonical SMILES for (3R)-5-azido-4,4-difluoro-3-phenylmethoxypent-1-en-2-ol is C=C(O)[C@@H](OCc1ccccc1)C(F)(F)CN=[N+]=[N-].
What is the InChIKey of (3R)-5-azido-4,4-difluoro-3-phenylmethoxypent-1-en-2-ol?
The InChIKey is STIAQIDTERYMRV-LLVKDONJSA-N. The full InChI is InChI=1S/C12H13F2N3O2/c1-9(18)11(12(13,14)8-16-17-15)19-7-10-5-3-2-4-6-10/h2-6,11,18H,1,7-8H2/t11-/m1/s1.
What are the key properties of (3R)-5-azido-4,4-difluoro-3-phenylmethoxypent-1-en-2-ol?
(3R)-5-azido-4,4-difluoro-3-phenylmethoxypent-1-en-2-ol has a molecular weight of 269.25 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-azido-4,4-difluoro-3-phenylmethoxypent-1-en-2-ol is sourced from PubChem (CID 140585760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).