(1R)-1-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]propan-1-amine

C12H15F4NO — CID 29004969

IUPAC(1R)-1-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]propan-1-amine
SMILESCC[C@@H](N)c1ccc(OCC(F)(F)C(F)F)cc1
InChIInChI=1S/C12H15F4NO/c1-2-10(17)8-3-5-9(6-4-8)18-7-12(15,16)11(13)14/h3-6,10-11H,2,7,17H2,1H3/t10-/m1/s1
InChIKeyPDNRHDXLZGFZKL-SNVBAGLBSA-N
MW265.25 g/mol
LogP3.38
Rot. Bonds6

About (1R)-1-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]propan-1-amine

(1R)-1-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]propan-1-amine (PubChem CID 29004969) has the molecular formula C12H15F4NO and a molecular weight of 265.25 g/mol. Its IUPAC name is (1R)-1-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]propan-1-amine
PubChem CID29004969
Molecular FormulaC12H15F4NO
Molecular Weight265.25 g/mol
Exact Mass265.11
IUPAC Name(1R)-1-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]propan-1-amine
SMILESCC[C@@H](N)c1ccc(OCC(F)(F)C(F)F)cc1
InChIInChI=1S/C12H15F4NO/c1-2-10(17)8-3-5-9(6-4-8)18-7-12(15,16)11(13)14/h3-6,10-11H,2,7,17H2,1H3/t10-/m1/s1
InChIKeyPDNRHDXLZGFZKL-SNVBAGLBSA-N
XLogP3.38
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.25
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]propan-1-amine
CID 61492150
(1S)-1-[4-[2-(trifluoromethoxy)ethoxy]phenyl]propan-1-amine
CID 79014746
1-[4-[(1S)-1-aminopropyl]phenoxy]-2-methylbutan-2-ol
CID 104930453
1-(4-propoxyphenyl)propan-1-amine
CID 16783118
1-[4-[(1R)-1-aminopropyl]phenoxy]butan-2-ol
CID 78937019
(1R)-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-1-amine
CID 103939568
(1S)-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-1-amine
CID 113355509
1-[4-(2-ethoxyethoxy)phenyl]propan-1-amine
CID 43457024
(2R)-1-[4-[(2R)-butan-2-yl]phenoxy]-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
CID 93492444
1-[4-(1-aminopropyl)phenoxy]propan-2-ol
CID 60880327
1-[4-[(1S)-1-aminopropyl]phenoxy]propan-2-ol
CID 63367838
(1S)-1-(4-octoxyphenyl)propan-1-amine
CID 78944099

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]propan-1-amine?
The IUPAC name of (1R)-1-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]propan-1-amine (CID 29004969) is (1R)-1-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]propan-1-amine.
What is the SMILES notation for (1R)-1-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]propan-1-amine?
The canonical SMILES for (1R)-1-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]propan-1-amine is CC[C@@H](N)c1ccc(OCC(F)(F)C(F)F)cc1.
What is the InChIKey of (1R)-1-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]propan-1-amine?
The InChIKey is PDNRHDXLZGFZKL-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H15F4NO/c1-2-10(17)8-3-5-9(6-4-8)18-7-12(15,16)11(13)14/h3-6,10-11H,2,7,17H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-1-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]propan-1-amine?
(1R)-1-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]propan-1-amine has a molecular weight of 265.25 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]propan-1-amine is sourced from PubChem (CID 29004969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).