5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-fluoroaniline

C12H16FNO3 — CID 19896035

IUPAC5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-fluoroaniline
SMILESCC1(C)OCC(COc2ccc(F)c(N)c2)O1
InChIInChI=1S/C12H16FNO3/c1-12(2)16-7-9(17-12)6-15-8-3-4-10(13)11(14)5-8/h3-5,9H,6-7,14H2,1-2H3
InChIKeyNRBSBMRKTLXVST-UHFFFAOYSA-N
MW241.26 g/mol
LogP1.94
Rot. Bonds3

About 5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-fluoroaniline

5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-fluoroaniline (PubChem CID 19896035) has the molecular formula C12H16FNO3 and a molecular weight of 241.26 g/mol. Its IUPAC name is 5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-fluoroaniline.

Molecular Properties

Compound Name5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-fluoroaniline
PubChem CID19896035
Molecular FormulaC12H16FNO3
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC Name5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-fluoroaniline
SMILESCC1(C)OCC(COc2ccc(F)c(N)c2)O1
InChIInChI=1S/C12H16FNO3/c1-12(2)16-7-9(17-12)6-15-8-3-4-10(13)11(14)5-8/h3-5,9H,6-7,14H2,1-2H3
InChIKeyNRBSBMRKTLXVST-UHFFFAOYSA-N
XLogP1.94
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-fluoroaniline?
The IUPAC name of 5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-fluoroaniline (CID 19896035) is 5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-fluoroaniline.
What is the SMILES notation for 5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-fluoroaniline?
The canonical SMILES for 5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-fluoroaniline is CC1(C)OCC(COc2ccc(F)c(N)c2)O1.
What is the InChIKey of 5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-fluoroaniline?
The InChIKey is NRBSBMRKTLXVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3/c1-12(2)16-7-9(17-12)6-15-8-3-4-10(13)11(14)5-8/h3-5,9H,6-7,14H2,1-2H3.
What are the key properties of 5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-fluoroaniline?
5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-fluoroaniline has a molecular weight of 241.26 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-fluoroaniline is sourced from PubChem (CID 19896035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).