(2R)-1-(2,3,5,6-tetrafluorophenoxy)propan-2-amine

C9H9F4NO — CID 103289142

IUPAC(2R)-1-(2,3,5,6-tetrafluorophenoxy)propan-2-amine
SMILESC[C@@H](N)COc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C9H9F4NO/c1-4(14)3-15-9-7(12)5(10)2-6(11)8(9)13/h2,4H,3,14H2,1H3/t4-/m1/s1
InChIKeyKAXHSEHDUGHRJY-SCSAIBSYSA-N
MW223.17 g/mol
LogP1.97
Rot. Bonds3

About (2R)-1-(2,3,5,6-tetrafluorophenoxy)propan-2-amine

(2R)-1-(2,3,5,6-tetrafluorophenoxy)propan-2-amine (PubChem CID 103289142) has the molecular formula C9H9F4NO and a molecular weight of 223.17 g/mol. Its IUPAC name is (2R)-1-(2,3,5,6-tetrafluorophenoxy)propan-2-amine.

Molecular Properties

Compound Name(2R)-1-(2,3,5,6-tetrafluorophenoxy)propan-2-amine
PubChem CID103289142
Molecular FormulaC9H9F4NO
Molecular Weight223.17 g/mol
Exact Mass223.06
IUPAC Name(2R)-1-(2,3,5,6-tetrafluorophenoxy)propan-2-amine
SMILESC[C@@H](N)COc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C9H9F4NO/c1-4(14)3-15-9-7(12)5(10)2-6(11)8(9)13/h2,4H,3,14H2,1H3/t4-/m1/s1
InChIKeyKAXHSEHDUGHRJY-SCSAIBSYSA-N
XLogP1.97
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.17
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1,2,4,5-tetrafluoro-3-(2-methylpropoxy)benzene
CID 58298374
1-(6-bromo-2,3-difluorophenoxy)propan-2-amine
CID 73407272
1-(2,3,5,6-tetrafluorophenoxy)butan-2-ol
CID 103289730
1-cyclopentyl-2-(2,3,5,6-tetrafluorophenoxy)ethanamine
CID 103289339
(2R)-1-[4-[[4-[(2R)-2-aminopropoxy]-3,5-dimethylphenyl]methyl]-2,6-dimethylphenoxy]propan-2-amine
CID 10270525
3-[2-(bromomethyl)-3,3-dimethylbutoxy]-1,2,4,5-tetrafluorobenzene
CID 103289405
1-(2,3,4-trifluorophenoxy)propan-2-amine
CID 83396701
2-amino-4-hydroxy-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid
CID 22134602
(2R)-1-(2,3-difluorophenoxy)propan-2-amine
CID 79006344
methyl 2-acetamido-3-(2,3,5,6-tetrafluorophenoxy)propanoate
CID 103288839
methyl 4-hydroxy-3-methyl-5-(2,3,5,6-tetrafluorophenoxy)pentanoate
CID 145399399
N-propan-2-yl-3-(2,3,5,6-tetrafluorophenoxy)propan-1-amine
CID 103289199

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2,3,5,6-tetrafluorophenoxy)propan-2-amine?
The IUPAC name of (2R)-1-(2,3,5,6-tetrafluorophenoxy)propan-2-amine (CID 103289142) is (2R)-1-(2,3,5,6-tetrafluorophenoxy)propan-2-amine.
What is the SMILES notation for (2R)-1-(2,3,5,6-tetrafluorophenoxy)propan-2-amine?
The canonical SMILES for (2R)-1-(2,3,5,6-tetrafluorophenoxy)propan-2-amine is C[C@@H](N)COc1c(F)c(F)cc(F)c1F.
What is the InChIKey of (2R)-1-(2,3,5,6-tetrafluorophenoxy)propan-2-amine?
The InChIKey is KAXHSEHDUGHRJY-SCSAIBSYSA-N. The full InChI is InChI=1S/C9H9F4NO/c1-4(14)3-15-9-7(12)5(10)2-6(11)8(9)13/h2,4H,3,14H2,1H3/t4-/m1/s1.
What are the key properties of (2R)-1-(2,3,5,6-tetrafluorophenoxy)propan-2-amine?
(2R)-1-(2,3,5,6-tetrafluorophenoxy)propan-2-amine has a molecular weight of 223.17 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2,3,5,6-tetrafluorophenoxy)propan-2-amine is sourced from PubChem (CID 103289142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).