2-(2,2,3,3,3-pentafluoropropoxy)-2-phenylethanamine

C11H12F5NO — CID 113248979

IUPAC2-(2,2,3,3,3-pentafluoropropoxy)-2-phenylethanamine
SMILESNCC(OCC(F)(F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C11H12F5NO/c12-10(13,11(14,15)16)7-18-9(6-17)8-4-2-1-3-5-8/h1-5,9H,6-7,17H2
InChIKeyALZTXGDYYYVBHJ-UHFFFAOYSA-N
MW269.21 g/mol
LogP2.90
Rot. Bonds5

About 2-(2,2,3,3,3-pentafluoropropoxy)-2-phenylethanamine

2-(2,2,3,3,3-pentafluoropropoxy)-2-phenylethanamine (PubChem CID 113248979) has the molecular formula C11H12F5NO and a molecular weight of 269.21 g/mol. Its IUPAC name is 2-(2,2,3,3,3-pentafluoropropoxy)-2-phenylethanamine.

Molecular Properties

Compound Name2-(2,2,3,3,3-pentafluoropropoxy)-2-phenylethanamine
PubChem CID113248979
Molecular FormulaC11H12F5NO
Molecular Weight269.21 g/mol
Exact Mass269.08
IUPAC Name2-(2,2,3,3,3-pentafluoropropoxy)-2-phenylethanamine
SMILESNCC(OCC(F)(F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C11H12F5NO/c12-10(13,11(14,15)16)7-18-9(6-17)8-4-2-1-3-5-8/h1-5,9H,6-7,17H2
InChIKeyALZTXGDYYYVBHJ-UHFFFAOYSA-N
XLogP2.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.21
LogP ≤ 52.90
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

N-methyl-2-(2,2,3,3,3-pentafluoropropoxy)-2-phenylethanamine
CID 103725392
3-(2-amino-1-phenylethoxy)propan-1-amine
CID 70040020
(2R)-2-phenyl-2-[[4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]methoxy]ethanamine
CID 130253876
2-[(2-methylpropan-2-yl)oxy]-2-phenylethanamine
CID 58172290
(2-amino-1-phenylethyl) carbamate
CID 57066991
[2-iodo-1-(1,1,1-trifluoropropan-2-yloxy)ethyl]benzene
CID 114774573
2-phenoxy-2-phenylethanamine chloride
CID 21228850
2-phenoxy-2-phenylethanamine;sulfane
CID 174620608
2-benzhydryl-3,3-diphenylpropan-1-amine
CID 139723407
(2R)-2-[(2-tert-butyl-1,3-thiazol-5-yl)methoxy]-2-phenylethanamine
CID 130254631
2-(4-fluorophenyl)-2-(4,4,4-trifluorobutoxy)ethanamine
CID 82789383
2,2,3,3,4,4,4-heptafluorobutyl 2,2-diphenylacetate
CID 4086856

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,3,3,3-pentafluoropropoxy)-2-phenylethanamine?
The IUPAC name of 2-(2,2,3,3,3-pentafluoropropoxy)-2-phenylethanamine (CID 113248979) is 2-(2,2,3,3,3-pentafluoropropoxy)-2-phenylethanamine.
What is the SMILES notation for 2-(2,2,3,3,3-pentafluoropropoxy)-2-phenylethanamine?
The canonical SMILES for 2-(2,2,3,3,3-pentafluoropropoxy)-2-phenylethanamine is NCC(OCC(F)(F)C(F)(F)F)c1ccccc1.
What is the InChIKey of 2-(2,2,3,3,3-pentafluoropropoxy)-2-phenylethanamine?
The InChIKey is ALZTXGDYYYVBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F5NO/c12-10(13,11(14,15)16)7-18-9(6-17)8-4-2-1-3-5-8/h1-5,9H,6-7,17H2.
What are the key properties of 2-(2,2,3,3,3-pentafluoropropoxy)-2-phenylethanamine?
2-(2,2,3,3,3-pentafluoropropoxy)-2-phenylethanamine has a molecular weight of 269.21 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3,3,3-pentafluoropropoxy)-2-phenylethanamine is sourced from PubChem (CID 113248979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).