5-fluoro-2-[[(2R)-oxolan-2-yl]methoxy]aniline

C11H14FNO2 — CID 40822784

IUPAC5-fluoro-2-[[(2R)-oxolan-2-yl]methoxy]aniline
SMILESNc1cc(F)ccc1OC[C@H]1CCCO1
InChIInChI=1S/C11H14FNO2/c12-8-3-4-11(10(13)6-8)15-7-9-2-1-5-14-9/h3-4,6,9H,1-2,5,7,13H2/t9-/m1/s1
InChIKeyPOQZTKZHKXLVCS-SECBINFHSA-N
MW211.24 g/mol
LogP1.97
Rot. Bonds3

About 5-fluoro-2-[[(2R)-oxolan-2-yl]methoxy]aniline

5-fluoro-2-[[(2R)-oxolan-2-yl]methoxy]aniline (PubChem CID 40822784) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 5-fluoro-2-[[(2R)-oxolan-2-yl]methoxy]aniline.

Molecular Properties

Compound Name5-fluoro-2-[[(2R)-oxolan-2-yl]methoxy]aniline
PubChem CID40822784
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name5-fluoro-2-[[(2R)-oxolan-2-yl]methoxy]aniline
SMILESNc1cc(F)ccc1OC[C@H]1CCCO1
InChIInChI=1S/C11H14FNO2/c12-8-3-4-11(10(13)6-8)15-7-9-2-1-5-14-9/h3-4,6,9H,1-2,5,7,13H2/t9-/m1/s1
InChIKeyPOQZTKZHKXLVCS-SECBINFHSA-N
XLogP1.97
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-2-[[(2R)-oxan-2-yl]methoxy]aniline
CID 26189643
(1S)-1-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]ethanamine
CID 78937766
5-bromo-4-fluoro-2-(oxolan-2-ylmethoxy)aniline
CID 66111356
4-bromo-5-fluoro-2-(oxolan-2-ylmethoxy)aniline
CID 116736428
5-fluoro-2-(1-oxaspiro[4.5]decan-2-ylmethoxy)aniline
CID 102896169
4-bromo-5-fluoro-2-(oxan-2-ylmethoxy)aniline
CID 116736435
2,3-difluoro-4-(oxolan-2-ylmethoxy)phenol
CID 147972497
4-fluoro-1-N-methyl-1-N-(oxolan-2-ylmethyl)benzene-1,2-diamine
CID 61431331
4-amino-3-(oxolan-2-ylmethoxy)benzonitrile
CID 104712496
N-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]pyrrolidine-1-carboxamide
CID 95616338
1-cyclopropyl-3-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 95334266
4-ethoxy-5-fluoro-2-(oxan-2-ylmethoxy)aniline
CID 55216471

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[[(2R)-oxolan-2-yl]methoxy]aniline?
The IUPAC name of 5-fluoro-2-[[(2R)-oxolan-2-yl]methoxy]aniline (CID 40822784) is 5-fluoro-2-[[(2R)-oxolan-2-yl]methoxy]aniline.
What is the SMILES notation for 5-fluoro-2-[[(2R)-oxolan-2-yl]methoxy]aniline?
The canonical SMILES for 5-fluoro-2-[[(2R)-oxolan-2-yl]methoxy]aniline is Nc1cc(F)ccc1OC[C@H]1CCCO1.
What is the InChIKey of 5-fluoro-2-[[(2R)-oxolan-2-yl]methoxy]aniline?
The InChIKey is POQZTKZHKXLVCS-SECBINFHSA-N. The full InChI is InChI=1S/C11H14FNO2/c12-8-3-4-11(10(13)6-8)15-7-9-2-1-5-14-9/h3-4,6,9H,1-2,5,7,13H2/t9-/m1/s1.
What are the key properties of 5-fluoro-2-[[(2R)-oxolan-2-yl]methoxy]aniline?
5-fluoro-2-[[(2R)-oxolan-2-yl]methoxy]aniline has a molecular weight of 211.24 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[[(2R)-oxolan-2-yl]methoxy]aniline is sourced from PubChem (CID 40822784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).