2-[3,5-difluoro-4-(2-fluoroethoxy)phenyl]ethanamine

C10H12F3NO — CID 80694644

IUPAC2-[3,5-difluoro-4-(2-fluoroethoxy)phenyl]ethanamine
SMILESNCCc1cc(F)c(OCCF)c(F)c1
InChIInChI=1S/C10H12F3NO/c11-2-4-15-10-8(12)5-7(1-3-14)6-9(10)13/h5-6H,1-4,14H2
InChIKeyDPNTVRYDVKRTFQ-UHFFFAOYSA-N
MW219.21 g/mol
LogP1.81
Rot. Bonds5

About 2-[3,5-difluoro-4-(2-fluoroethoxy)phenyl]ethanamine

2-[3,5-difluoro-4-(2-fluoroethoxy)phenyl]ethanamine (PubChem CID 80694644) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is 2-[3,5-difluoro-4-(2-fluoroethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3,5-difluoro-4-(2-fluoroethoxy)phenyl]ethanamine
PubChem CID80694644
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name2-[3,5-difluoro-4-(2-fluoroethoxy)phenyl]ethanamine
SMILESNCCc1cc(F)c(OCCF)c(F)c1
InChIInChI=1S/C10H12F3NO/c11-2-4-15-10-8(12)5-7(1-3-14)6-9(10)13/h5-6H,1-4,14H2
InChIKeyDPNTVRYDVKRTFQ-UHFFFAOYSA-N
XLogP1.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(3-ethoxypropoxy)-3,5-difluorophenyl]ethanamine
CID 79888054
1-[3,5-difluoro-4-(2-fluoroethoxy)phenyl]-N-methylmethanamine
CID 80698852
2-[4-(3-fluoropropoxy)-3,5-dimethylphenyl]ethanamine
CID 81113900
6-[4-(aminomethyl)-2,6-difluorophenoxy]hexan-1-ol
CID 107702733
2-[4-[(3-bromo-4-fluorophenyl)methoxy]-3,5-difluorophenyl]ethanamine
CID 79882250
2-[2-[4-(aminomethyl)-2,6-difluorophenoxy]ethoxy]ethanol
CID 79887012
2-[4-[(4-bromothiophen-2-yl)methoxy]-3,5-difluorophenyl]ethanamine
CID 79888610
2-[3,5-difluoro-4-(1,2-oxazol-5-ylmethoxy)phenyl]ethanamine
CID 79888305
2-[4-[(4-bromo-2-fluorophenyl)methoxy]-3,5-difluorophenyl]ethanamine
CID 79882262
2-[3,5-difluoro-4-(1-methoxypropan-2-yloxy)phenyl]ethanamine
CID 79887834
2-[3-(2-fluoroethoxy)phenyl]ethanamine
CID 80693684
[3,5-difluoro-4-(4-methoxybutoxy)phenyl]methanamine
CID 104647126

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-difluoro-4-(2-fluoroethoxy)phenyl]ethanamine?
The IUPAC name of 2-[3,5-difluoro-4-(2-fluoroethoxy)phenyl]ethanamine (CID 80694644) is 2-[3,5-difluoro-4-(2-fluoroethoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[3,5-difluoro-4-(2-fluoroethoxy)phenyl]ethanamine?
The canonical SMILES for 2-[3,5-difluoro-4-(2-fluoroethoxy)phenyl]ethanamine is NCCc1cc(F)c(OCCF)c(F)c1.
What is the InChIKey of 2-[3,5-difluoro-4-(2-fluoroethoxy)phenyl]ethanamine?
The InChIKey is DPNTVRYDVKRTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO/c11-2-4-15-10-8(12)5-7(1-3-14)6-9(10)13/h5-6H,1-4,14H2.
What are the key properties of 2-[3,5-difluoro-4-(2-fluoroethoxy)phenyl]ethanamine?
2-[3,5-difluoro-4-(2-fluoroethoxy)phenyl]ethanamine has a molecular weight of 219.21 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-difluoro-4-(2-fluoroethoxy)phenyl]ethanamine is sourced from PubChem (CID 80694644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).