carboxymethyl-(1,1-difluoropropyl)-dipropylazanium

C11H22F2NO2+ — CID 172792873

IUPACcarboxymethyl-(1,1-difluoropropyl)-dipropylazanium
SMILESCCC[N+](CCC)(CC(=O)O)C(F)(F)CC
InChIInChI=1S/C11H21F2NO2/c1-4-7-14(8-5-2,9-10(15)16)11(12,13)6-3/h4-9H2,1-3H3/p+1
InChIKeyWHTMIGWBPHOSIE-UHFFFAOYSA-O
MW238.30 g/mol
LogP2.71
Rot. Bonds8

About carboxymethyl-(1,1-difluoropropyl)-dipropylazanium

carboxymethyl-(1,1-difluoropropyl)-dipropylazanium (PubChem CID 172792873) has the molecular formula C11H22F2NO2+ and a molecular weight of 238.30 g/mol. Its IUPAC name is carboxymethyl-(1,1-difluoropropyl)-dipropylazanium.

Molecular Properties

Compound Namecarboxymethyl-(1,1-difluoropropyl)-dipropylazanium
PubChem CID172792873
Molecular FormulaC11H22F2NO2+
Molecular Weight238.30 g/mol
Exact Mass238.16
IUPAC Namecarboxymethyl-(1,1-difluoropropyl)-dipropylazanium
SMILESCCC[N+](CCC)(CC(=O)O)C(F)(F)CC
InChIInChI=1S/C11H21F2NO2/c1-4-7-14(8-5-2,9-10(15)16)11(12,13)6-3/h4-9H2,1-3H3/p+1
InChIKeyWHTMIGWBPHOSIE-UHFFFAOYSA-O
XLogP2.71
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

Triethylamine; trifluoroacetic acid
CID 12210277
2-(Tripropylazaniumyl)acetate
CID 11481092
Butyl-(carboxymethyl)-dimethylazanium chloride
CID 44366677
4:4 Fluorotelomer betaine
CID 139596049
6:4 Fluorotelomer betaine
CID 139596056
Carboxymethyl-(4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-hexadecafluoroundecyl)-dimethylazanium
CID 176514734
Carboxymethyl(triethyl)azanium
CID 11298121
2-(Diisobutylamino)acetic acid
CID 239817
Di-n-butylglycine
CID 239818
2-(dipropylamino)acetic Acid
CID 10236027
Carboxymethyl(trimethyl)azanium;2,2,2-trifluoroacetate
CID 12753927
Tetrapropylazanium;2,2,2-trifluoroacetate
CID 21902798

Frequently Asked Questions

What is the IUPAC name of carboxymethyl-(1,1-difluoropropyl)-dipropylazanium?
The IUPAC name of carboxymethyl-(1,1-difluoropropyl)-dipropylazanium (CID 172792873) is carboxymethyl-(1,1-difluoropropyl)-dipropylazanium.
What is the SMILES notation for carboxymethyl-(1,1-difluoropropyl)-dipropylazanium?
The canonical SMILES for carboxymethyl-(1,1-difluoropropyl)-dipropylazanium is CCC[N+](CCC)(CC(=O)O)C(F)(F)CC.
What is the InChIKey of carboxymethyl-(1,1-difluoropropyl)-dipropylazanium?
The InChIKey is WHTMIGWBPHOSIE-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H21F2NO2/c1-4-7-14(8-5-2,9-10(15)16)11(12,13)6-3/h4-9H2,1-3H3/p+1.
What are the key properties of carboxymethyl-(1,1-difluoropropyl)-dipropylazanium?
carboxymethyl-(1,1-difluoropropyl)-dipropylazanium has a molecular weight of 238.30 g/mol, XLogP of 2.71, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carboxymethyl-(1,1-difluoropropyl)-dipropylazanium is sourced from PubChem (CID 172792873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).