(1R)-1-[2-(3-chloro-2-fluorophenoxy)-6-fluorophenyl]ethanamine

C14H12ClF2NO — CID 104892670

IUPAC(1R)-1-[2-(3-chloro-2-fluorophenoxy)-6-fluorophenyl]ethanamine
SMILESC[C@@H](N)c1c(F)cccc1Oc1cccc(Cl)c1F
InChIInChI=1S/C14H12ClF2NO/c1-8(18)13-10(16)5-3-6-11(13)19-12-7-2-4-9(15)14(12)17/h2-8H,18H2,1H3/t8-/m1/s1
InChIKeyHOGBSVIFKLNTAP-MRVPVSSYSA-N
MW283.71 g/mol
LogP4.43
Rot. Bonds3

About (1R)-1-[2-(3-chloro-2-fluorophenoxy)-6-fluorophenyl]ethanamine

(1R)-1-[2-(3-chloro-2-fluorophenoxy)-6-fluorophenyl]ethanamine (PubChem CID 104892670) has the molecular formula C14H12ClF2NO and a molecular weight of 283.71 g/mol. Its IUPAC name is (1R)-1-[2-(3-chloro-2-fluorophenoxy)-6-fluorophenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[2-(3-chloro-2-fluorophenoxy)-6-fluorophenyl]ethanamine
PubChem CID104892670
Molecular FormulaC14H12ClF2NO
Molecular Weight283.71 g/mol
Exact Mass283.06
IUPAC Name(1R)-1-[2-(3-chloro-2-fluorophenoxy)-6-fluorophenyl]ethanamine
SMILESC[C@@H](N)c1c(F)cccc1Oc1cccc(Cl)c1F
InChIInChI=1S/C14H12ClF2NO/c1-8(18)13-10(16)5-3-6-11(13)19-12-7-2-4-9(15)14(12)17/h2-8H,18H2,1H3/t8-/m1/s1
InChIKeyHOGBSVIFKLNTAP-MRVPVSSYSA-N
XLogP4.43
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.71
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[2-fluoro-6-(2-fluoro-3-methylphenoxy)phenyl]ethanamine
CID 107658794
(1R)-1-[4-(3-chloro-2-fluorophenoxy)-3-fluorophenyl]ethanamine
CID 104892667
1-[2-(2-chloro-4-methylphenoxy)-6-fluorophenyl]ethanamine
CID 62671655
1-(2-chloro-6-fluorophenyl)ethanamine
CID 53394777
1-chloro-3-(3-chloro-2-fluorophenoxy)-2-fluorobenzene
CID 141078897
1-[2-fluoro-6-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine
CID 43128559
(1R)-1-[2-(3-chloro-4-fluorophenoxy)-6-fluorophenyl]ethanamine
CID 63879513
(1R)-1-[2-(3,4-dichlorophenoxy)-6-fluorophenyl]ethanamine
CID 63369876
1-[2-(3-chlorophenoxy)-6-fluorophenyl]ethanamine
CID 43189220
(1R)-1-[2-(2-chloro-6-nitrophenoxy)-6-fluorophenyl]ethanamine
CID 107717146
1-[3-chloro-4-(2,3-difluorophenoxy)phenyl]ethanamine
CID 63037472
1-[2-(4-bromo-2-fluorophenoxy)-6-fluorophenyl]ethanamine
CID 43123461

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(3-chloro-2-fluorophenoxy)-6-fluorophenyl]ethanamine?
The IUPAC name of (1R)-1-[2-(3-chloro-2-fluorophenoxy)-6-fluorophenyl]ethanamine (CID 104892670) is (1R)-1-[2-(3-chloro-2-fluorophenoxy)-6-fluorophenyl]ethanamine.
What is the SMILES notation for (1R)-1-[2-(3-chloro-2-fluorophenoxy)-6-fluorophenyl]ethanamine?
The canonical SMILES for (1R)-1-[2-(3-chloro-2-fluorophenoxy)-6-fluorophenyl]ethanamine is C[C@@H](N)c1c(F)cccc1Oc1cccc(Cl)c1F.
What is the InChIKey of (1R)-1-[2-(3-chloro-2-fluorophenoxy)-6-fluorophenyl]ethanamine?
The InChIKey is HOGBSVIFKLNTAP-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H12ClF2NO/c1-8(18)13-10(16)5-3-6-11(13)19-12-7-2-4-9(15)14(12)17/h2-8H,18H2,1H3/t8-/m1/s1.
What are the key properties of (1R)-1-[2-(3-chloro-2-fluorophenoxy)-6-fluorophenyl]ethanamine?
(1R)-1-[2-(3-chloro-2-fluorophenoxy)-6-fluorophenyl]ethanamine has a molecular weight of 283.71 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(3-chloro-2-fluorophenoxy)-6-fluorophenyl]ethanamine is sourced from PubChem (CID 104892670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).