(2R)-1-(2,3-difluorophenoxy)propan-2-amine

C9H11F2NO — CID 79006344

IUPAC(2R)-1-(2,3-difluorophenoxy)propan-2-amine
SMILESC[C@@H](N)COc1cccc(F)c1F
InChIInChI=1S/C9H11F2NO/c1-6(12)5-13-8-4-2-3-7(10)9(8)11/h2-4,6H,5,12H2,1H3/t6-/m1/s1
InChIKeyNBHMSYZIVSCXDR-ZCFIWIBFSA-N
MW187.19 g/mol
LogP1.69
Rot. Bonds3

About (2R)-1-(2,3-difluorophenoxy)propan-2-amine

(2R)-1-(2,3-difluorophenoxy)propan-2-amine (PubChem CID 79006344) has the molecular formula C9H11F2NO and a molecular weight of 187.19 g/mol. Its IUPAC name is (2R)-1-(2,3-difluorophenoxy)propan-2-amine.

Molecular Properties

Compound Name(2R)-1-(2,3-difluorophenoxy)propan-2-amine
PubChem CID79006344
Molecular FormulaC9H11F2NO
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name(2R)-1-(2,3-difluorophenoxy)propan-2-amine
SMILESC[C@@H](N)COc1cccc(F)c1F
InChIInChI=1S/C9H11F2NO/c1-6(12)5-13-8-4-2-3-7(10)9(8)11/h2-4,6H,5,12H2,1H3/t6-/m1/s1
InChIKeyNBHMSYZIVSCXDR-ZCFIWIBFSA-N
XLogP1.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3,4-trifluorophenoxy)propan-2-amine
CID 83396701
1-(2,3-difluorophenoxy)-3,3-dimethylbutan-2-amine
CID 63037624
2-(2,3-difluorophenoxy)-1-(2-methoxyphenyl)ethanamine
CID 63038149
1-cyclopropyl-2-(2,3-difluorophenoxy)ethanamine
CID 63905866
ethyl 2-amino-3-(2,3-difluorophenoxy)propanoate
CID 55144001
4-(2,3-difluorophenoxy)pentan-2-amine
CID 64720911
2-(2,3-difluorophenoxy)-1-(4-ethylphenyl)ethanamine
CID 63036402
2-(2,3-difluorophenoxy)-1-(2,4-difluorophenyl)ethanamine
CID 107523625
3-(2,3-difluorophenoxy)propane-1,2-diol
CID 79838719
2-(2,3-difluorophenoxy)-1-(3-methoxyphenyl)ethanamine
CID 63036932
2-[(2,3-difluorophenoxy)methyl]butane-1-sulfonamide
CID 64998716
2-(2,3-difluorophenoxy)ethanamine
CID 63036211

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2,3-difluorophenoxy)propan-2-amine?
The IUPAC name of (2R)-1-(2,3-difluorophenoxy)propan-2-amine (CID 79006344) is (2R)-1-(2,3-difluorophenoxy)propan-2-amine.
What is the SMILES notation for (2R)-1-(2,3-difluorophenoxy)propan-2-amine?
The canonical SMILES for (2R)-1-(2,3-difluorophenoxy)propan-2-amine is C[C@@H](N)COc1cccc(F)c1F.
What is the InChIKey of (2R)-1-(2,3-difluorophenoxy)propan-2-amine?
The InChIKey is NBHMSYZIVSCXDR-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H11F2NO/c1-6(12)5-13-8-4-2-3-7(10)9(8)11/h2-4,6H,5,12H2,1H3/t6-/m1/s1.
What are the key properties of (2R)-1-(2,3-difluorophenoxy)propan-2-amine?
(2R)-1-(2,3-difluorophenoxy)propan-2-amine has a molecular weight of 187.19 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2,3-difluorophenoxy)propan-2-amine is sourced from PubChem (CID 79006344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).