(1R)-1-[4-(3-chloro-2-fluorophenoxy)-3-fluorophenyl]ethanamine

C14H12ClF2NO — CID 104892667

IUPAC(1R)-1-[4-(3-chloro-2-fluorophenoxy)-3-fluorophenyl]ethanamine
SMILESC[C@@H](N)c1ccc(Oc2cccc(Cl)c2F)c(F)c1
InChIInChI=1S/C14H12ClF2NO/c1-8(18)9-5-6-12(11(16)7-9)19-13-4-2-3-10(15)14(13)17/h2-8H,18H2,1H3/t8-/m1/s1
InChIKeyMBKLAYSATQDQFI-MRVPVSSYSA-N
MW283.71 g/mol
LogP4.43
Rot. Bonds3

About (1R)-1-[4-(3-chloro-2-fluorophenoxy)-3-fluorophenyl]ethanamine

(1R)-1-[4-(3-chloro-2-fluorophenoxy)-3-fluorophenyl]ethanamine (PubChem CID 104892667) has the molecular formula C14H12ClF2NO and a molecular weight of 283.71 g/mol. Its IUPAC name is (1R)-1-[4-(3-chloro-2-fluorophenoxy)-3-fluorophenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[4-(3-chloro-2-fluorophenoxy)-3-fluorophenyl]ethanamine
PubChem CID104892667
Molecular FormulaC14H12ClF2NO
Molecular Weight283.71 g/mol
Exact Mass283.06
IUPAC Name(1R)-1-[4-(3-chloro-2-fluorophenoxy)-3-fluorophenyl]ethanamine
SMILESC[C@@H](N)c1ccc(Oc2cccc(Cl)c2F)c(F)c1
InChIInChI=1S/C14H12ClF2NO/c1-8(18)9-5-6-12(11(16)7-9)19-13-4-2-3-10(15)14(13)17/h2-8H,18H2,1H3/t8-/m1/s1
InChIKeyMBKLAYSATQDQFI-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

1-[4-(2,3-dichlorophenoxy)-3-fluorophenyl]ethanamine
CID 43106357
(1S)-1-[4-(3-chloro-2-fluorophenoxy)-3-fluorophenyl]ethanol
CID 104892683
1-[3-chloro-4-(2,3-difluorophenoxy)phenyl]ethanamine
CID 63037472
(1R)-1-[2-(3-chloro-2-fluorophenoxy)-6-fluorophenyl]ethanamine
CID 104892670
1-[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]ethanamine
CID 116689319
1-[4-(2-chloro-6-nitrophenoxy)-3-fluorophenyl]ethanamine
CID 107717151
(1R)-1-[4-(3,4-dichlorophenoxy)-3-fluorophenyl]ethanamine
CID 55183896
1-[4-(2-tert-butylphenoxy)-3-fluorophenyl]ethanamine
CID 43103758
1-chloro-3-(3-chloro-2-fluorophenoxy)-2-fluorobenzene
CID 141078897
(1R)-1-[3-fluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine
CID 29003344
1-[3-fluoro-4-(3-methylphenoxy)phenyl]ethanamine
CID 43189188
(1R)-1-[4-(2-butan-2-ylphenoxy)-3-fluorophenyl]ethanamine
CID 63369801

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(3-chloro-2-fluorophenoxy)-3-fluorophenyl]ethanamine?
The IUPAC name of (1R)-1-[4-(3-chloro-2-fluorophenoxy)-3-fluorophenyl]ethanamine (CID 104892667) is (1R)-1-[4-(3-chloro-2-fluorophenoxy)-3-fluorophenyl]ethanamine.
What is the SMILES notation for (1R)-1-[4-(3-chloro-2-fluorophenoxy)-3-fluorophenyl]ethanamine?
The canonical SMILES for (1R)-1-[4-(3-chloro-2-fluorophenoxy)-3-fluorophenyl]ethanamine is C[C@@H](N)c1ccc(Oc2cccc(Cl)c2F)c(F)c1.
What is the InChIKey of (1R)-1-[4-(3-chloro-2-fluorophenoxy)-3-fluorophenyl]ethanamine?
The InChIKey is MBKLAYSATQDQFI-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H12ClF2NO/c1-8(18)9-5-6-12(11(16)7-9)19-13-4-2-3-10(15)14(13)17/h2-8H,18H2,1H3/t8-/m1/s1.
What are the key properties of (1R)-1-[4-(3-chloro-2-fluorophenoxy)-3-fluorophenyl]ethanamine?
(1R)-1-[4-(3-chloro-2-fluorophenoxy)-3-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-[4-(3-chloro-2-fluorophenoxy)-3-fluorophenyl]ethanamine is sourced from PubChem (CID 104892667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).