1,2,2,2-tetrafluoro-1-(2,3,4,5,6-pentafluorophenoxy)ethanamine

C8H2F9NO — CID 175991056

IUPAC1,2,2,2-tetrafluoro-1-(2,3,4,5,6-pentafluorophenoxy)ethanamine
SMILESNC(F)(Oc1c(F)c(F)c(F)c(F)c1F)C(F)(F)F
InChIInChI=1S/C8H2F9NO/c9-1-2(10)4(12)6(5(13)3(1)11)19-8(17,18)7(14,15)16/h18H2
InChIKeyCTIBDGPNRQNNTM-UHFFFAOYSA-N
MW299.09 g/mol
LogP2.91
Rot. Bonds2

About 1,2,2,2-tetrafluoro-1-(2,3,4,5,6-pentafluorophenoxy)ethanamine

1,2,2,2-tetrafluoro-1-(2,3,4,5,6-pentafluorophenoxy)ethanamine (PubChem CID 175991056) has the molecular formula C8H2F9NO and a molecular weight of 299.09 g/mol. Its IUPAC name is 1,2,2,2-tetrafluoro-1-(2,3,4,5,6-pentafluorophenoxy)ethanamine.

Molecular Properties

Compound Name1,2,2,2-tetrafluoro-1-(2,3,4,5,6-pentafluorophenoxy)ethanamine
PubChem CID175991056
Molecular FormulaC8H2F9NO
Molecular Weight299.09 g/mol
Exact Mass299.00
IUPAC Name1,2,2,2-tetrafluoro-1-(2,3,4,5,6-pentafluorophenoxy)ethanamine
SMILESNC(F)(Oc1c(F)c(F)c(F)c(F)c1F)C(F)(F)F
InChIInChI=1S/C8H2F9NO/c9-1-2(10)4(12)6(5(13)3(1)11)19-8(17,18)7(14,15)16/h18H2
InChIKeyCTIBDGPNRQNNTM-UHFFFAOYSA-N
XLogP2.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.09
LogP ≤ 52.91
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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1,2,3,4,5-pentafluoro-6-[1,1,3,3,3-pentafluoro-2-(trifluoromethyl)propoxy]benzene
CID 89285940
2-methyl-2-(2,3,4,5,6-pentafluorophenoxy)propan-1-amine
CID 104523383
1,2,3,4-tetrafluoro-5,6-bis[(2-methylpropan-2-yl)oxy]benzene
CID 22625262
1,2,3,4,5-pentafluoro-6-(3-methylpentan-3-yloxy)benzene
CID 126481065
1-bromo-4-[chloro(difluoro)methoxy]-2,3,5,6-tetrafluorobenzene
CID 75365424
1,2,4,5-tetrafluoro-3-methoxy-6-[2,3,5,6-tetrafluoro-4-(trifluoromethoxy)phenyl]benzene
CID 177164134
1,2,3,5-tetrafluoro-4-[2,3,4,6-tetrafluoro-5-(trifluoromethyl)phenoxy]-6-(trifluoromethyl)benzene
CID 174560482
2-(2,3,4,5,6-pentafluorophenoxy)ethyl 2,2,3,3,3-pentafluoropropanoate
CID 91710743
1,2,3,4,5-pentafluoro-6-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]oxybenzene
CID 164842487
1,2,4,5-tetrafluoro-3-methyl-6-(trichloromethoxy)benzene
CID 54011362
1,2,3,4,5-pentafluoro-6-[2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]benzene
CID 2833797
1,2,3,4,5-pentafluoro-6-[1,2,2,2-tetrafluoro-1-(2,3,4,5,6-pentafluorophenyl)ethyl]benzene
CID 91743957

Frequently Asked Questions

What is the IUPAC name of 1,2,2,2-tetrafluoro-1-(2,3,4,5,6-pentafluorophenoxy)ethanamine?
The IUPAC name of 1,2,2,2-tetrafluoro-1-(2,3,4,5,6-pentafluorophenoxy)ethanamine (CID 175991056) is 1,2,2,2-tetrafluoro-1-(2,3,4,5,6-pentafluorophenoxy)ethanamine.
What is the SMILES notation for 1,2,2,2-tetrafluoro-1-(2,3,4,5,6-pentafluorophenoxy)ethanamine?
The canonical SMILES for 1,2,2,2-tetrafluoro-1-(2,3,4,5,6-pentafluorophenoxy)ethanamine is NC(F)(Oc1c(F)c(F)c(F)c(F)c1F)C(F)(F)F.
What is the InChIKey of 1,2,2,2-tetrafluoro-1-(2,3,4,5,6-pentafluorophenoxy)ethanamine?
The InChIKey is CTIBDGPNRQNNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2F9NO/c9-1-2(10)4(12)6(5(13)3(1)11)19-8(17,18)7(14,15)16/h18H2.
What are the key properties of 1,2,2,2-tetrafluoro-1-(2,3,4,5,6-pentafluorophenoxy)ethanamine?
1,2,2,2-tetrafluoro-1-(2,3,4,5,6-pentafluorophenoxy)ethanamine has a molecular weight of 299.09 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,2-tetrafluoro-1-(2,3,4,5,6-pentafluorophenoxy)ethanamine is sourced from PubChem (CID 175991056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).