(1R)-1-[4-[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]-2-fluorophenyl]ethanamine

C16H14Cl2F3NO — CID 86667255

IUPAC(1R)-1-[4-[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]-2-fluorophenyl]ethanamine
SMILESC[C@@H](N)c1ccc(-c2cc(Cl)cc(Cl)c2OCC(F)F)cc1F
InChIInChI=1S/C16H14Cl2F3NO/c1-8(22)11-3-2-9(4-14(11)19)12-5-10(17)6-13(18)16(12)23-7-15(20)21/h2-6,8,15H,7,22H2,1H3/t8-/m1/s1
InChIKeyAPRFYYBRFQHYAE-MRVPVSSYSA-N
MW364.19 g/mol
LogP5.46
Rot. Bonds5

About (1R)-1-[4-[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]-2-fluorophenyl]ethanamine

(1R)-1-[4-[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]-2-fluorophenyl]ethanamine (PubChem CID 86667255) has the molecular formula C16H14Cl2F3NO and a molecular weight of 364.19 g/mol. Its IUPAC name is (1R)-1-[4-[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]-2-fluorophenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[4-[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]-2-fluorophenyl]ethanamine
PubChem CID86667255
Molecular FormulaC16H14Cl2F3NO
Molecular Weight364.19 g/mol
Exact Mass363.04
IUPAC Name(1R)-1-[4-[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]-2-fluorophenyl]ethanamine
SMILESC[C@@H](N)c1ccc(-c2cc(Cl)cc(Cl)c2OCC(F)F)cc1F
InChIInChI=1S/C16H14Cl2F3NO/c1-8(22)11-3-2-9(4-14(11)19)12-5-10(17)6-13(18)16(12)23-7-15(20)21/h2-6,8,15H,7,22H2,1H3/t8-/m1/s1
InChIKeyAPRFYYBRFQHYAE-MRVPVSSYSA-N
XLogP5.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.19
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[[(1R)-1-[4-[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]-2-fluorophenyl]ethyl]carbamoyl]oxetan-3-yl]carbamic acid
CID 151901770
[[[4-[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]-2-fluorophenyl]-methylcarbamoyl]-ethylamino]carbamic acid
CID 87457809
2-[[4-[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]-2-fluorophenyl]methyl]-1-(2,2-dimethylpropanoylamino)guanidine
CID 91141826
3,5-dichloro-2-(2,2-difluoroethoxy)aniline
CID 19622891
1-[1-[5-[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]-3-fluoro-2-pyridinyl]ethyl]-3-(2-methylpropanoylamino)urea
CID 90721230
2-[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]ethanamine
CID 60922555
2,4-dichloro-1-[4-(difluoromethyl)-3-fluorophenyl]benzene
CID 119008035
1-[2-chloro-4-(2-fluorophenyl)phenyl]ethanamine
CID 82783615
3-[1-[5-[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]-3-fluoro-2-pyridinyl]ethyl]-1-(3,3-difluorobut-1-en-2-yloxy)-1-ethylurea
CID 90706567
(1S)-1-[4-[(3-chloro-4-fluorophenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107718633
(1S)-1-(2,4-dichlorophenyl)ethanamine
CID 2496562
2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]ethanol
CID 107718833

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]-2-fluorophenyl]ethanamine?
The IUPAC name of (1R)-1-[4-[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]-2-fluorophenyl]ethanamine (CID 86667255) is (1R)-1-[4-[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]-2-fluorophenyl]ethanamine.
What is the SMILES notation for (1R)-1-[4-[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]-2-fluorophenyl]ethanamine?
The canonical SMILES for (1R)-1-[4-[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]-2-fluorophenyl]ethanamine is C[C@@H](N)c1ccc(-c2cc(Cl)cc(Cl)c2OCC(F)F)cc1F.
What is the InChIKey of (1R)-1-[4-[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]-2-fluorophenyl]ethanamine?
The InChIKey is APRFYYBRFQHYAE-MRVPVSSYSA-N. The full InChI is InChI=1S/C16H14Cl2F3NO/c1-8(22)11-3-2-9(4-14(11)19)12-5-10(17)6-13(18)16(12)23-7-15(20)21/h2-6,8,15H,7,22H2,1H3/t8-/m1/s1.
What are the key properties of (1R)-1-[4-[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]-2-fluorophenyl]ethanamine?
(1R)-1-[4-[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]-2-fluorophenyl]ethanamine has a molecular weight of 364.19 g/mol, XLogP of 5.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]-2-fluorophenyl]ethanamine is sourced from PubChem (CID 86667255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).