carboxymethyl-dimethyl-[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl]azanium

C10H11F11NO3+ — CID 118344740

IUPACcarboxymethyl-dimethyl-[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl]azanium
SMILESC[N+](C)(CC(=O)O)CC(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H10F11NO3/c1-22(2,3-5(23)24)4-6(11,8(14,15)16)25-10(20,21)7(12,13)9(17,18)19/h3-4H2,1-2H3/p+1
InChIKeyAHNKJUYYYUKHAR-UHFFFAOYSA-O
MW402.18 g/mol
LogP3.18
Rot. Bonds7

About carboxymethyl-dimethyl-[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl]azanium

carboxymethyl-dimethyl-[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl]azanium (PubChem CID 118344740) has the molecular formula C10H11F11NO3+ and a molecular weight of 402.18 g/mol. Its IUPAC name is carboxymethyl-dimethyl-[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl]azanium.

Molecular Properties

Compound Namecarboxymethyl-dimethyl-[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl]azanium
PubChem CID118344740
Molecular FormulaC10H11F11NO3+
Molecular Weight402.18 g/mol
Exact Mass402.06
IUPAC Namecarboxymethyl-dimethyl-[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl]azanium
SMILESC[N+](C)(CC(=O)O)CC(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H10F11NO3/c1-22(2,3-5(23)24)4-6(11,8(14,15)16)25-10(20,21)7(12,13)9(17,18)19/h3-4H2,1-2H3/p+1
InChIKeyAHNKJUYYYUKHAR-UHFFFAOYSA-O
XLogP3.18
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.18
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

[2-(Diethylamino)acetyl] 2,2,2-trifluoroacetate
CID 87242888
2-[2-Methylpropyl-[2-oxo-2-(2,2,2-trifluoroacetyl)oxyethyl]amino]acetic acid
CID 87845500
Carboxymethyl-dimethyl-[2,3,3,3-tetrafluoro-2-(1,1,2-trifluoroethoxy)propyl]azanium
CID 90078635
2,2-Difluoropropyl 2-[ethyl(2,2,2-trifluoroethyl)amino]acetate
CID 118029370
1,1,1,3,3-Pentafluorobutan-2-yl 2-(diethylamino)acetate
CID 118029371
2-[2-[1,1,1,3,3,3-Hexafluoro-2-(trifluoromethyl)propan-2-yl]oxyethyl-methylamino]acetic acid
CID 126611650
2-[Methyl-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]amino]acetic acid
CID 129013060
Carboxymethyl-dimethyl-[2-(2,2,2-trifluoroacetyl)oxyethyl]azanium
CID 130266543
Carboxymethyl-dimethyl-[3-(2,2,2-trifluoroacetyl)oxypropyl]azanium
CID 130266652
Carboxymethyl-dimethyl-[3-(2,2,3,3,3-pentafluoropropanoyloxy)propyl]azanium
CID 130266725
2-[Dimethyl-[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl]azaniumyl]acetate
CID 140686863
Tert-butyl 2-[methyl(2,2,2-trifluoroethyl)amino]acetate
CID 162685062

Frequently Asked Questions

What is the IUPAC name of carboxymethyl-dimethyl-[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl]azanium?
The IUPAC name of carboxymethyl-dimethyl-[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl]azanium (CID 118344740) is carboxymethyl-dimethyl-[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl]azanium.
What is the SMILES notation for carboxymethyl-dimethyl-[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl]azanium?
The canonical SMILES for carboxymethyl-dimethyl-[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl]azanium is C[N+](C)(CC(=O)O)CC(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of carboxymethyl-dimethyl-[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl]azanium?
The InChIKey is AHNKJUYYYUKHAR-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H10F11NO3/c1-22(2,3-5(23)24)4-6(11,8(14,15)16)25-10(20,21)7(12,13)9(17,18)19/h3-4H2,1-2H3/p+1.
What are the key properties of carboxymethyl-dimethyl-[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl]azanium?
carboxymethyl-dimethyl-[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl]azanium has a molecular weight of 402.18 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carboxymethyl-dimethyl-[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl]azanium is sourced from PubChem (CID 118344740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).