(1R)-1-[2-(2-fluoroethoxy)-5-nitrophenyl]ethanol

C10H12FNO4 — CID 104890135

IUPAC(1R)-1-[2-(2-fluoroethoxy)-5-nitrophenyl]ethanol
SMILESC[C@@H](O)c1cc([N+](=O)[O-])ccc1OCCF
InChIInChI=1S/C10H12FNO4/c1-7(13)9-6-8(12(14)15)2-3-10(9)16-5-4-11/h2-3,6-7,13H,4-5H2,1H3/t7-/m1/s1
InChIKeyJDLYZMVCDUXOQF-SSDOTTSWSA-N
MW229.21 g/mol
LogP2.00
Rot. Bonds5

About (1R)-1-[2-(2-fluoroethoxy)-5-nitrophenyl]ethanol

(1R)-1-[2-(2-fluoroethoxy)-5-nitrophenyl]ethanol (PubChem CID 104890135) has the molecular formula C10H12FNO4 and a molecular weight of 229.21 g/mol. Its IUPAC name is (1R)-1-[2-(2-fluoroethoxy)-5-nitrophenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-(2-fluoroethoxy)-5-nitrophenyl]ethanol
PubChem CID104890135
Molecular FormulaC10H12FNO4
Molecular Weight229.21 g/mol
Exact Mass229.08
IUPAC Name(1R)-1-[2-(2-fluoroethoxy)-5-nitrophenyl]ethanol
SMILESC[C@@H](O)c1cc([N+](=O)[O-])ccc1OCCF
InChIInChI=1S/C10H12FNO4/c1-7(13)9-6-8(12(14)15)2-3-10(9)16-5-4-11/h2-3,6-7,13H,4-5H2,1H3/t7-/m1/s1
InChIKeyJDLYZMVCDUXOQF-SSDOTTSWSA-N
XLogP2.00
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.21
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

1-(2-ethoxy-5-nitrophenyl)ethanol
CID 116541848
(1S)-1-[2-(3-methylbut-3-enoxy)-5-nitrophenyl]ethanol
CID 104929606
3-[2-[(1R)-1-hydroxyethyl]-4-nitrophenoxy]propanamide
CID 104890078
(1S)-1-(5-nitro-2-pent-4-ynoxyphenyl)ethanol
CID 104890437
(1R)-1-[5-nitro-2-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethanol
CID 104890123
(1R)-1-[5-nitro-2-(2-propan-2-ylsulfonylethoxy)phenyl]ethanol
CID 106726363
2-[2-(1-hydroxyethyl)-4-nitrophenoxy]acetonitrile
CID 116542044
(1S)-1-(5-nitro-2-prop-2-enoxyphenyl)ethanol
CID 104890248
N-cyclopropyl-3-[2-[(1R)-1-hydroxyethyl]-4-nitrophenoxy]propanamide
CID 104890101
N-cyclopropyl-3-[2-[(1S)-1-hydroxyethyl]-4-nitrophenoxy]propanamide
CID 104890356
2-[2-(1-hydroxyethyl)-4-nitrophenoxy]-N-methylacetamide
CID 116541811
1-[2-(2-morpholin-4-ylethoxy)-5-nitrophenyl]ethanol
CID 116541854

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(2-fluoroethoxy)-5-nitrophenyl]ethanol?
The IUPAC name of (1R)-1-[2-(2-fluoroethoxy)-5-nitrophenyl]ethanol (CID 104890135) is (1R)-1-[2-(2-fluoroethoxy)-5-nitrophenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-(2-fluoroethoxy)-5-nitrophenyl]ethanol?
The canonical SMILES for (1R)-1-[2-(2-fluoroethoxy)-5-nitrophenyl]ethanol is C[C@@H](O)c1cc([N+](=O)[O-])ccc1OCCF.
What is the InChIKey of (1R)-1-[2-(2-fluoroethoxy)-5-nitrophenyl]ethanol?
The InChIKey is JDLYZMVCDUXOQF-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H12FNO4/c1-7(13)9-6-8(12(14)15)2-3-10(9)16-5-4-11/h2-3,6-7,13H,4-5H2,1H3/t7-/m1/s1.
What are the key properties of (1R)-1-[2-(2-fluoroethoxy)-5-nitrophenyl]ethanol?
(1R)-1-[2-(2-fluoroethoxy)-5-nitrophenyl]ethanol has a molecular weight of 229.21 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(2-fluoroethoxy)-5-nitrophenyl]ethanol is sourced from PubChem (CID 104890135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).