2,2,3,3-tetrafluoro-N-(2-phenoxyethyl)propan-1-amine

C11H13F4NO — CID 114169263

IUPAC2,2,3,3-tetrafluoro-N-(2-phenoxyethyl)propan-1-amine
SMILESFC(F)C(F)(F)CNCCOc1ccccc1
InChIInChI=1S/C11H13F4NO/c12-10(13)11(14,15)8-16-6-7-17-9-4-2-1-3-5-9/h1-5,10,16H,6-8H2
InChIKeyQTNOQYLTKYFRTR-UHFFFAOYSA-N
MW251.22 g/mol
LogP2.56
Rot. Bonds7

About 2,2,3,3-tetrafluoro-N-(2-phenoxyethyl)propan-1-amine

2,2,3,3-tetrafluoro-N-(2-phenoxyethyl)propan-1-amine (PubChem CID 114169263) has the molecular formula C11H13F4NO and a molecular weight of 251.22 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-(2-phenoxyethyl)propan-1-amine.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-(2-phenoxyethyl)propan-1-amine
PubChem CID114169263
Molecular FormulaC11H13F4NO
Molecular Weight251.22 g/mol
Exact Mass251.09
IUPAC Name2,2,3,3-tetrafluoro-N-(2-phenoxyethyl)propan-1-amine
SMILESFC(F)C(F)(F)CNCCOc1ccccc1
InChIInChI=1S/C11H13F4NO/c12-10(13)11(14,15)8-16-6-7-17-9-4-2-1-3-5-9/h1-5,10,16H,6-8H2
InChIKeyQTNOQYLTKYFRTR-UHFFFAOYSA-N
XLogP2.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.22
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,3,3-tetrafluoro-N-[2-(4-methoxyphenoxy)ethyl]propan-1-amine
CID 106292101
N-(2-fluoroethyl)-2-phenoxyethanamine
CID 80694190
2,3-dimethyl-1-(2-phenoxyethylamino)butan-2-ol
CID 114447528
N-(2,2-difluoroethyl)-3-phenoxypropan-1-amine
CID 62380605
3-phenoxy-N-(3-phenoxypropyl)propan-1-amine;hydrochloride
CID 18793133
N-(2-phenoxyethyl)propan-1-amine
CID 6453152
2,2,3,3-tetrafluoro-N-[[4-(3-methylbutoxy)phenyl]methyl]propan-1-amine
CID 106289896
2,3-dimethyl-N-(2-phenoxyethyl)butan-1-amine
CID 64571109
1,1-difluoro-N-(2-phenoxyethyl)propan-2-amine
CID 102869382
2-N,2-N,2-trimethyl-1-N-(3-phenoxypropyl)propane-1,2-diamine
CID 60693914
N-[2-(4-methylphenoxy)ethyl]-2-phenoxyethanamine;hydrochloride
CID 18793114
2-(2-phenoxyethylamino)acetic acid
CID 13236095

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-(2-phenoxyethyl)propan-1-amine?
The IUPAC name of 2,2,3,3-tetrafluoro-N-(2-phenoxyethyl)propan-1-amine (CID 114169263) is 2,2,3,3-tetrafluoro-N-(2-phenoxyethyl)propan-1-amine.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-(2-phenoxyethyl)propan-1-amine?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-(2-phenoxyethyl)propan-1-amine is FC(F)C(F)(F)CNCCOc1ccccc1.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-(2-phenoxyethyl)propan-1-amine?
The InChIKey is QTNOQYLTKYFRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F4NO/c12-10(13)11(14,15)8-16-6-7-17-9-4-2-1-3-5-9/h1-5,10,16H,6-8H2.
What are the key properties of 2,2,3,3-tetrafluoro-N-(2-phenoxyethyl)propan-1-amine?
2,2,3,3-tetrafluoro-N-(2-phenoxyethyl)propan-1-amine has a molecular weight of 251.22 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-(2-phenoxyethyl)propan-1-amine is sourced from PubChem (CID 114169263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).