2-[(2R)-1-(2,3-difluoro-6-nitrophenoxy)propan-2-yl]oxyoxane

C14H17F2NO5 — CID 14697180

IUPAC2-[(2R)-1-(2,3-difluoro-6-nitrophenoxy)propan-2-yl]oxyoxane
SMILESC[C@H](COc1c([N+](=O)[O-])ccc(F)c1F)OC1CCCCO1
InChIInChI=1S/C14H17F2NO5/c1-9(22-12-4-2-3-7-20-12)8-21-14-11(17(18)19)6-5-10(15)13(14)16/h5-6,9,12H,2-4,7-8H2,1H3/t9-,12?/m1/s1
InChIKeyMZRIVLOAWMCWBS-PKEIRNPWSA-N
MW317.29 g/mol
LogP3.18
Rot. Bonds6

About 2-[(2R)-1-(2,3-difluoro-6-nitrophenoxy)propan-2-yl]oxyoxane

2-[(2R)-1-(2,3-difluoro-6-nitrophenoxy)propan-2-yl]oxyoxane (PubChem CID 14697180) has the molecular formula C14H17F2NO5 and a molecular weight of 317.29 g/mol. Its IUPAC name is 2-[(2R)-1-(2,3-difluoro-6-nitrophenoxy)propan-2-yl]oxyoxane.

Molecular Properties

Compound Name2-[(2R)-1-(2,3-difluoro-6-nitrophenoxy)propan-2-yl]oxyoxane
PubChem CID14697180
Molecular FormulaC14H17F2NO5
Molecular Weight317.29 g/mol
Exact Mass317.11
IUPAC Name2-[(2R)-1-(2,3-difluoro-6-nitrophenoxy)propan-2-yl]oxyoxane
SMILESC[C@H](COc1c([N+](=O)[O-])ccc(F)c1F)OC1CCCCO1
InChIInChI=1S/C14H17F2NO5/c1-9(22-12-4-2-3-7-20-12)8-21-14-11(17(18)19)6-5-10(15)13(14)16/h5-6,9,12H,2-4,7-8H2,1H3/t9-,12?/m1/s1
InChIKeyMZRIVLOAWMCWBS-PKEIRNPWSA-N
XLogP3.18
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.29
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(2S)-1-[2-[(2S)-2-(oxan-2-yloxy)propoxy]phenoxy]propan-2-yl]oxyoxane
CID 10475739
1,2-difluoro-3-(fluoromethoxy)-4-nitrobenzene
CID 118830267
2-[(2S)-2-(oxan-2-yloxy)propoxy]benzonitrile
CID 175791848
1-bromo-3-(2,3-difluoro-6-nitrophenoxy)propan-2-ol
CID 22247683
1-(2,5-difluorophenyl)-2-[(2R)-oxan-2-yl]oxypropan-1-one
CID 118421064
1-(2,5-difluorophenyl)-2-(oxan-2-yloxy)propan-1-one
CID 16662814
2-[(2-fluoro-5-nitrophenyl)methoxy]oxane
CID 22179631
2-butan-2-yloxyoxane
CID 559028
(3R)-3-[(2R)-oxan-2-yl]oxybutan-1-amine
CID 98010101
2-[1-(3-phenylmethoxybutoxy)propan-2-yloxy]oxane
CID 174209322
2,3-difluoro-6-nitro-N-(oxolan-2-ylmethyl)aniline
CID 62533651
4-methyl-2-nitro-N-(oxan-2-yloxy)aniline
CID 133389460

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(2,3-difluoro-6-nitrophenoxy)propan-2-yl]oxyoxane?
The IUPAC name of 2-[(2R)-1-(2,3-difluoro-6-nitrophenoxy)propan-2-yl]oxyoxane (CID 14697180) is 2-[(2R)-1-(2,3-difluoro-6-nitrophenoxy)propan-2-yl]oxyoxane.
What is the SMILES notation for 2-[(2R)-1-(2,3-difluoro-6-nitrophenoxy)propan-2-yl]oxyoxane?
The canonical SMILES for 2-[(2R)-1-(2,3-difluoro-6-nitrophenoxy)propan-2-yl]oxyoxane is C[C@H](COc1c([N+](=O)[O-])ccc(F)c1F)OC1CCCCO1.
What is the InChIKey of 2-[(2R)-1-(2,3-difluoro-6-nitrophenoxy)propan-2-yl]oxyoxane?
The InChIKey is MZRIVLOAWMCWBS-PKEIRNPWSA-N. The full InChI is InChI=1S/C14H17F2NO5/c1-9(22-12-4-2-3-7-20-12)8-21-14-11(17(18)19)6-5-10(15)13(14)16/h5-6,9,12H,2-4,7-8H2,1H3/t9-,12?/m1/s1.
What are the key properties of 2-[(2R)-1-(2,3-difluoro-6-nitrophenoxy)propan-2-yl]oxyoxane?
2-[(2R)-1-(2,3-difluoro-6-nitrophenoxy)propan-2-yl]oxyoxane has a molecular weight of 317.29 g/mol, XLogP of 3.18, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(2,3-difluoro-6-nitrophenoxy)propan-2-yl]oxyoxane is sourced from PubChem (CID 14697180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).