1-[2-(2,2-difluoroethoxy)-4-fluorophenyl]-N-methylethanamine

C11H14F3NO — CID 63065355

IUPAC1-[2-(2,2-difluoroethoxy)-4-fluorophenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(F)cc1OCC(F)F
InChIInChI=1S/C11H14F3NO/c1-7(15-2)9-4-3-8(12)5-10(9)16-6-11(13)14/h3-5,7,11,15H,6H2,1-2H3
InChIKeyWSNFCAUOOSKVBK-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.75
Rot. Bonds5

About 1-[2-(2,2-difluoroethoxy)-4-fluorophenyl]-N-methylethanamine

1-[2-(2,2-difluoroethoxy)-4-fluorophenyl]-N-methylethanamine (PubChem CID 63065355) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is 1-[2-(2,2-difluoroethoxy)-4-fluorophenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-(2,2-difluoroethoxy)-4-fluorophenyl]-N-methylethanamine
PubChem CID63065355
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name1-[2-(2,2-difluoroethoxy)-4-fluorophenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(F)cc1OCC(F)F
InChIInChI=1S/C11H14F3NO/c1-7(15-2)9-4-3-8(12)5-10(9)16-6-11(13)14/h3-5,7,11,15H,6H2,1-2H3
InChIKeyWSNFCAUOOSKVBK-UHFFFAOYSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-fluoro-2-(2-methylpentoxy)phenyl]-N-methylethanamine
CID 55147255
1-(4-fluoro-2-nonoxyphenyl)-N-methylethanamine
CID 63485682
1-[4-fluoro-2-[(2-methoxyphenyl)methoxy]phenyl]-N-methylethanamine
CID 63064797
N-ethyl-1-[4-fluoro-2-(2-methylpropoxy)phenyl]ethanamine
CID 63066393
1-[2-[(3-bromo-5-fluorophenyl)methoxy]-4-fluorophenyl]-N-methylethanamine
CID 79698106
methyl 3-[5-fluoro-2-[1-(methylamino)ethyl]phenoxy]-2,2-dimethylpropanoate
CID 79629302
N-carbamoyl-2-[5-fluoro-2-[1-(methylamino)ethyl]phenoxy]acetamide
CID 63064124
1-[2-[(4-chloro-3-fluorophenyl)methoxy]-4-fluorophenyl]-N-methylethanamine
CID 107879395
1-[4-fluoro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]-N-methylethanamine
CID 63064107
N-cyclopropyl-2-[5-fluoro-2-[1-(methylamino)ethyl]phenoxy]acetamide
CID 63066020
1-[2-[(5-fluoro-2-methylphenyl)methoxy]-4-methylphenyl]-N-methylethanamine
CID 105370352
1-[4-fluoro-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylethanamine
CID 63064444

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2-difluoroethoxy)-4-fluorophenyl]-N-methylethanamine?
The IUPAC name of 1-[2-(2,2-difluoroethoxy)-4-fluorophenyl]-N-methylethanamine (CID 63065355) is 1-[2-(2,2-difluoroethoxy)-4-fluorophenyl]-N-methylethanamine.
What is the SMILES notation for 1-[2-(2,2-difluoroethoxy)-4-fluorophenyl]-N-methylethanamine?
The canonical SMILES for 1-[2-(2,2-difluoroethoxy)-4-fluorophenyl]-N-methylethanamine is CNC(C)c1ccc(F)cc1OCC(F)F.
What is the InChIKey of 1-[2-(2,2-difluoroethoxy)-4-fluorophenyl]-N-methylethanamine?
The InChIKey is WSNFCAUOOSKVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-7(15-2)9-4-3-8(12)5-10(9)16-6-11(13)14/h3-5,7,11,15H,6H2,1-2H3.
What are the key properties of 1-[2-(2,2-difluoroethoxy)-4-fluorophenyl]-N-methylethanamine?
1-[2-(2,2-difluoroethoxy)-4-fluorophenyl]-N-methylethanamine has a molecular weight of 233.23 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2-difluoroethoxy)-4-fluorophenyl]-N-methylethanamine is sourced from PubChem (CID 63065355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).