2-(3-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine

C13H17F4NO — CID 79441142

IUPAC2-(3-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine
SMILESNCC(CCCOCC(F)(F)F)c1cccc(F)c1
InChIInChI=1S/C13H17F4NO/c14-12-5-1-3-10(7-12)11(8-18)4-2-6-19-9-13(15,16)17/h1,3,5,7,11H,2,4,6,8-9,18H2
InChIKeyZWUHXZWPMQEHLR-UHFFFAOYSA-N
MW279.28 g/mol
LogP3.23
Rot. Bonds7

About 2-(3-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine

2-(3-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine (PubChem CID 79441142) has the molecular formula C13H17F4NO and a molecular weight of 279.28 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine
PubChem CID79441142
Molecular FormulaC13H17F4NO
Molecular Weight279.28 g/mol
Exact Mass279.12
IUPAC Name2-(3-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine
SMILESNCC(CCCOCC(F)(F)F)c1cccc(F)c1
InChIInChI=1S/C13H17F4NO/c14-12-5-1-3-10(7-12)11(8-18)4-2-6-19-9-13(15,16)17/h1,3,5,7,11H,2,4,6,8-9,18H2
InChIKeyZWUHXZWPMQEHLR-UHFFFAOYSA-N
XLogP3.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.28
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pentan-1-ol
CID 79443233
1-[1-bromo-4-(2,2,2-trifluoroethoxy)butan-2-yl]-3-fluorobenzene
CID 79433971
2-(3-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pentanoic acid
CID 79440635
2-(3-fluorophenyl)-5-(2-methylphenoxy)pentan-1-amine
CID 82138304
2-(3-fluorophenyl)-4-(2-methylpropoxy)butan-1-amine
CID 106457132
2-(3-fluorophenyl)-5-phenylpentan-1-amine
CID 79015149
N-methyl-2-(3-methylphenyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 79416655
2-[(3-fluorophenyl)methyl]-5-(2,2,2-trifluoroethoxy)pentan-1-ol
CID 66058858
(2S)-3-amino-2-(3-fluorophenyl)propan-1-ol
CID 124510156
4-(3,4-difluorophenoxy)-2-(3-fluorophenyl)butan-1-amine
CID 82138332
2-(3-chlorophenyl)-5-(2-methoxyethoxy)pentan-1-amine
CID 103412633
2-(4-chlorophenyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 79442186

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The IUPAC name of 2-(3-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine (CID 79441142) is 2-(3-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine.
What is the SMILES notation for 2-(3-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The canonical SMILES for 2-(3-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine is NCC(CCCOCC(F)(F)F)c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The InChIKey is ZWUHXZWPMQEHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F4NO/c14-12-5-1-3-10(7-12)11(8-18)4-2-6-19-9-13(15,16)17/h1,3,5,7,11H,2,4,6,8-9,18H2.
What are the key properties of 2-(3-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
2-(3-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine has a molecular weight of 279.28 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine is sourced from PubChem (CID 79441142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).