3,4-difluoro-2-[(2-methyl-1,3-dioxolan-2-yl)methoxy]aniline

C11H13F2NO3 — CID 14699297

IUPAC3,4-difluoro-2-[(2-methyl-1,3-dioxolan-2-yl)methoxy]aniline
SMILESCC1(COc2c(N)ccc(F)c2F)OCCO1
InChIInChI=1S/C11H13F2NO3/c1-11(16-4-5-17-11)6-15-10-8(14)3-2-7(12)9(10)13/h2-3H,4-6,14H2,1H3
InChIKeyWRTFIOJWCZRDDR-UHFFFAOYSA-N
MW245.22 g/mol
LogP1.69
Rot. Bonds3

About 3,4-difluoro-2-[(2-methyl-1,3-dioxolan-2-yl)methoxy]aniline

3,4-difluoro-2-[(2-methyl-1,3-dioxolan-2-yl)methoxy]aniline (PubChem CID 14699297) has the molecular formula C11H13F2NO3 and a molecular weight of 245.22 g/mol. Its IUPAC name is 3,4-difluoro-2-[(2-methyl-1,3-dioxolan-2-yl)methoxy]aniline.

Molecular Properties

Compound Name3,4-difluoro-2-[(2-methyl-1,3-dioxolan-2-yl)methoxy]aniline
PubChem CID14699297
Molecular FormulaC11H13F2NO3
Molecular Weight245.22 g/mol
Exact Mass245.09
IUPAC Name3,4-difluoro-2-[(2-methyl-1,3-dioxolan-2-yl)methoxy]aniline
SMILESCC1(COc2c(N)ccc(F)c2F)OCCO1
InChIInChI=1S/C11H13F2NO3/c1-11(16-4-5-17-11)6-15-10-8(14)3-2-7(12)9(10)13/h2-3H,4-6,14H2,1H3
InChIKeyWRTFIOJWCZRDDR-UHFFFAOYSA-N
XLogP1.69
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.22
LogP ≤ 51.69
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 3,4-difluoro-2-[(2-methyl-1,3-dioxolan-2-yl)methoxy]aniline?
The IUPAC name of 3,4-difluoro-2-[(2-methyl-1,3-dioxolan-2-yl)methoxy]aniline (CID 14699297) is 3,4-difluoro-2-[(2-methyl-1,3-dioxolan-2-yl)methoxy]aniline.
What is the SMILES notation for 3,4-difluoro-2-[(2-methyl-1,3-dioxolan-2-yl)methoxy]aniline?
The canonical SMILES for 3,4-difluoro-2-[(2-methyl-1,3-dioxolan-2-yl)methoxy]aniline is CC1(COc2c(N)ccc(F)c2F)OCCO1.
What is the InChIKey of 3,4-difluoro-2-[(2-methyl-1,3-dioxolan-2-yl)methoxy]aniline?
The InChIKey is WRTFIOJWCZRDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO3/c1-11(16-4-5-17-11)6-15-10-8(14)3-2-7(12)9(10)13/h2-3H,4-6,14H2,1H3.
What are the key properties of 3,4-difluoro-2-[(2-methyl-1,3-dioxolan-2-yl)methoxy]aniline?
3,4-difluoro-2-[(2-methyl-1,3-dioxolan-2-yl)methoxy]aniline has a molecular weight of 245.22 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-2-[(2-methyl-1,3-dioxolan-2-yl)methoxy]aniline is sourced from PubChem (CID 14699297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).