2-(2,3,4,5,6-pentafluorophenoxy)-N-propan-2-ylpropan-1-amine

C12H14F5NO — CID 62584714

IUPAC2-(2,3,4,5,6-pentafluorophenoxy)-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCC(C)Oc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C12H14F5NO/c1-5(2)18-4-6(3)19-12-10(16)8(14)7(13)9(15)11(12)17/h5-6,18H,4H2,1-3H3
InChIKeyUECYPYJJNGCEOB-UHFFFAOYSA-N
MW283.24 g/mol
LogP3.15
Rot. Bonds5

About 2-(2,3,4,5,6-pentafluorophenoxy)-N-propan-2-ylpropan-1-amine

2-(2,3,4,5,6-pentafluorophenoxy)-N-propan-2-ylpropan-1-amine (PubChem CID 62584714) has the molecular formula C12H14F5NO and a molecular weight of 283.24 g/mol. Its IUPAC name is 2-(2,3,4,5,6-pentafluorophenoxy)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-(2,3,4,5,6-pentafluorophenoxy)-N-propan-2-ylpropan-1-amine
PubChem CID62584714
Molecular FormulaC12H14F5NO
Molecular Weight283.24 g/mol
Exact Mass283.10
IUPAC Name2-(2,3,4,5,6-pentafluorophenoxy)-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCC(C)Oc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C12H14F5NO/c1-5(2)18-4-6(3)19-12-10(16)8(14)7(13)9(15)11(12)17/h5-6,18H,4H2,1-3H3
InChIKeyUECYPYJJNGCEOB-UHFFFAOYSA-N
XLogP3.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.24
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2,3,4,5,6-pentafluorophenoxy)propyl]butan-1-amine
CID 62583041
2-(4-bromophenoxy)-N-propan-2-ylpropan-1-amine
CID 62454236
2-(4-methylsulfanylphenoxy)-N-propan-2-ylpropan-1-amine
CID 63648603
4-[3-fluoro-5-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]butan-2-one
CID 135172487
N-propan-2-yl-2-[3-(trifluoromethyl)phenoxy]propan-1-amine
CID 62456493
2-(2,5-dichlorophenoxy)-N-propan-2-ylpropan-1-amine
CID 62450032
2-fluoro-N-propan-2-ylpropan-1-amine
CID 84647765
2-(4-chloro-3-ethylphenoxy)-N-propan-2-ylpropan-1-amine
CID 55076773
2-(3-ethoxyphenoxy)-N-propan-2-ylpropan-1-amine
CID 62440452
1-(3-bromo-4-fluorophenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 83231577
(2S)-N-propan-2-yl-2-[(4-propan-2-yl-2-pyridinyl)oxy]propan-1-amine
CID 126654827
1,2,3,4-tetrafluoro-5-methyl-6-propan-2-yloxybenzene
CID 147057196

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,5,6-pentafluorophenoxy)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 2-(2,3,4,5,6-pentafluorophenoxy)-N-propan-2-ylpropan-1-amine (CID 62584714) is 2-(2,3,4,5,6-pentafluorophenoxy)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 2-(2,3,4,5,6-pentafluorophenoxy)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 2-(2,3,4,5,6-pentafluorophenoxy)-N-propan-2-ylpropan-1-amine is CC(C)NCC(C)Oc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2-(2,3,4,5,6-pentafluorophenoxy)-N-propan-2-ylpropan-1-amine?
The InChIKey is UECYPYJJNGCEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F5NO/c1-5(2)18-4-6(3)19-12-10(16)8(14)7(13)9(15)11(12)17/h5-6,18H,4H2,1-3H3.
What are the key properties of 2-(2,3,4,5,6-pentafluorophenoxy)-N-propan-2-ylpropan-1-amine?
2-(2,3,4,5,6-pentafluorophenoxy)-N-propan-2-ylpropan-1-amine has a molecular weight of 283.24 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,5,6-pentafluorophenoxy)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 62584714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).