azane;2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]acetic acid

C5H4F9NO4 — CID 175001633

IUPACazane;2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]acetic acid
SMILESN.O=C(O)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)F
InChIInChI=1S/C5HF9O4.H3N/c6-2(7,1(15)16)17-3(8,9)4(10,11)18-5(12,13)14;/h(H,15,16);1H3
InChIKeyJTTYCHQVWWBCCE-UHFFFAOYSA-N
MW313.07 g/mol
LogP2.56
Rot. Bonds5

About azane;2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]acetic acid

azane;2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]acetic acid (PubChem CID 175001633) has the molecular formula C5H4F9NO4 and a molecular weight of 313.07 g/mol. Its IUPAC name is azane;2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]acetic acid.

Molecular Properties

Compound Nameazane;2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]acetic acid
PubChem CID175001633
Molecular FormulaC5H4F9NO4
Molecular Weight313.07 g/mol
Exact Mass313.00
IUPAC Nameazane;2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]acetic acid
SMILESN.O=C(O)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)F
InChIInChI=1S/C5HF9O4.H3N/c6-2(7,1(15)16)17-3(8,9)4(10,11)18-5(12,13)14;/h(H,15,16);1H3
InChIKeyJTTYCHQVWWBCCE-UHFFFAOYSA-N
XLogP2.56
TPSA90.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.07
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

azane;2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]ethoxy]acetic acid
CID 175696446
2-(2-chloro-1,1,2,2-tetrafluoroethoxy)-2,2-difluoroacetic acid
CID 15570709
2,2-difluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]acetyl fluoride
CID 175723871
2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2-trifluoro-2-oxoethoxy)ethoxy]acetyl fluoride
CID 23235156
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13-tetracosafluoro-13-(trifluoromethoxy)tridecanoic acid
CID 139595749
2-[carboxy(difluoro)methyl]peroxy-2,2-difluoroacetic acid
CID 141118237
2-[1-(1-chloro-1,1,2,3,3,3-hexafluoropropan-2-yl)oxy-1,1,2,3,3,3-hexafluoropropan-2-yl]oxy-2,2-difluoroacetic acid
CID 102331882
1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]ethanol
CID 87175870
azane;pentakis(2,2,2-trifluoroacetic acid)
CID 174693543
azane;tris(2,2,2-trifluoroacetic acid)
CID 175976837
1,1,2,2,3,3-hexafluoro-1-[1,1,2,2-tetrafluoro-2-(1,1,2,3,3-pentafluoroprop-2-enoxy)ethoxy]-3-(trifluoromethoxy)propane
CID 175703673
2-[1-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,2,3,3,3-hexafluoropropan-2-yl]oxy-2,2-difluoroacetic acid
CID 162396472

Frequently Asked Questions

What is the IUPAC name of azane;2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]acetic acid?
The IUPAC name of azane;2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]acetic acid (CID 175001633) is azane;2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]acetic acid.
What is the SMILES notation for azane;2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]acetic acid?
The canonical SMILES for azane;2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]acetic acid is N.O=C(O)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)F.
What is the InChIKey of azane;2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]acetic acid?
The InChIKey is JTTYCHQVWWBCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HF9O4.H3N/c6-2(7,1(15)16)17-3(8,9)4(10,11)18-5(12,13)14;/h(H,15,16);1H3.
What are the key properties of azane;2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]acetic acid?
azane;2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]acetic acid has a molecular weight of 313.07 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]acetic acid is sourced from PubChem (CID 175001633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).