2-[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]ethanamine

C10H11Cl2F2NO — CID 60922555

IUPAC2-[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]ethanamine
SMILESNCCc1cc(Cl)cc(Cl)c1OCC(F)F
InChIInChI=1S/C10H11Cl2F2NO/c11-7-3-6(1-2-15)10(8(12)4-7)16-5-9(13)14/h3-4,9H,1-2,5,15H2
InChIKeyBOOFZKMZMNFOMH-UHFFFAOYSA-N
MW270.11 g/mol
LogP3.14
Rot. Bonds5

About 2-[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]ethanamine

2-[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]ethanamine (PubChem CID 60922555) has the molecular formula C10H11Cl2F2NO and a molecular weight of 270.11 g/mol. Its IUPAC name is 2-[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]ethanamine
PubChem CID60922555
Molecular FormulaC10H11Cl2F2NO
Molecular Weight270.11 g/mol
Exact Mass269.02
IUPAC Name2-[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]ethanamine
SMILESNCCc1cc(Cl)cc(Cl)c1OCC(F)F
InChIInChI=1S/C10H11Cl2F2NO/c11-7-3-6(1-2-15)10(8(12)4-7)16-5-9(13)14/h3-4,9H,1-2,5,15H2
InChIKeyBOOFZKMZMNFOMH-UHFFFAOYSA-N
XLogP3.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.11
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3,5-dichloro-2-(3-fluoropropoxy)phenyl]ethanamine
CID 81114613
3-[2-(2-aminoethyl)-4,6-dichlorophenoxy]-2-methylpropanamide
CID 54930692
2-[3,5-dichloro-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine
CID 103049271
3,5-dichloro-2-(2,2-difluoroethoxy)aniline
CID 19622891
N-[[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]methyl]ethanamine
CID 54939665
2-[3,5-dichloro-2-(2-methylprop-2-enoxy)phenyl]ethanamine
CID 60905717
2-(3,5-dichloro-2-nonoxyphenyl)ethanamine
CID 63421467
2-[3,5-dichloro-2-(cyclobutylmethoxy)phenyl]ethanamine
CID 65459079
2-[2-[(5-bromothiophen-2-yl)methoxy]-3,5-dichlorophenyl]ethanamine
CID 63421158
2-[3,5-dichloro-2-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine
CID 54930466
2-[2-(2-aminoethyl)-4,6-dichlorophenoxy]-N-methylacetamide
CID 54931009
2-[2-(2-aminoethyl)-4,6-dichlorophenoxy]-N-(2-methylpropyl)acetamide
CID 60905923

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]ethanamine?
The IUPAC name of 2-[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]ethanamine (CID 60922555) is 2-[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]ethanamine?
The canonical SMILES for 2-[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]ethanamine is NCCc1cc(Cl)cc(Cl)c1OCC(F)F.
What is the InChIKey of 2-[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]ethanamine?
The InChIKey is BOOFZKMZMNFOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2F2NO/c11-7-3-6(1-2-15)10(8(12)4-7)16-5-9(13)14/h3-4,9H,1-2,5,15H2.
What are the key properties of 2-[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]ethanamine?
2-[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]ethanamine has a molecular weight of 270.11 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]ethanamine is sourced from PubChem (CID 60922555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).