fluoro 2-[di(propan-2-yl)amino]-2-fluoroacetate

C8H15F2NO2 — CID 174491037

IUPACfluoro 2-[di(propan-2-yl)amino]-2-fluoroacetate
SMILESCC(C)N(C(C)C)C(F)C(=O)OF
InChIInChI=1S/C8H15F2NO2/c1-5(2)11(6(3)4)7(9)8(12)13-10/h5-7H,1-4H3
InChIKeyLQUPIWMENDTDJM-UHFFFAOYSA-N
MW195.21 g/mol
LogP1.83
Rot. Bonds4

About fluoro 2-[di(propan-2-yl)amino]-2-fluoroacetate

fluoro 2-[di(propan-2-yl)amino]-2-fluoroacetate (PubChem CID 174491037) has the molecular formula C8H15F2NO2 and a molecular weight of 195.21 g/mol. Its IUPAC name is fluoro 2-[di(propan-2-yl)amino]-2-fluoroacetate.

Molecular Properties

Compound Namefluoro 2-[di(propan-2-yl)amino]-2-fluoroacetate
PubChem CID174491037
Molecular FormulaC8H15F2NO2
Molecular Weight195.21 g/mol
Exact Mass195.11
IUPAC Namefluoro 2-[di(propan-2-yl)amino]-2-fluoroacetate
SMILESCC(C)N(C(C)C)C(F)C(=O)OF
InChIInChI=1S/C8H15F2NO2/c1-5(2)11(6(3)4)7(9)8(12)13-10/h5-7H,1-4H3
InChIKeyLQUPIWMENDTDJM-UHFFFAOYSA-N
XLogP1.83
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

fluoro 2-bromo-3-methylbutanoate
CID 143459700
fluoro 2-deuterio-2,2-difluoroacetate
CID 20826380
fluoro 2-fluorohexanoate;hydrochloride
CID 174751179
1-fluoro-N,N,N',N'-tetra(propan-2-yl)methanediamine
CID 139882033
potassium;fluoro 2-bromo-2-fluoroacetate;hydride
CID 175453203
potassium;fluoro 2-chloro-2-fluoroacetate;hydride
CID 174388966
2-fluoropropanoyl 2-fluoropropanoate
CID 57174610
methyl (2S,3R)-2-amino-3-fluorobutanoate
CID 131009170
(2S)-2-fluoropropanamide
CID 129374964
2,2-difluoroacetamide
CID 2782321
1,1-difluoro-N,N-di(propan-2-yl)propan-2-amine
CID 176685681
3-fluorobutan-2-yl acetate
CID 15210783

Frequently Asked Questions

What is the IUPAC name of fluoro 2-[di(propan-2-yl)amino]-2-fluoroacetate?
The IUPAC name of fluoro 2-[di(propan-2-yl)amino]-2-fluoroacetate (CID 174491037) is fluoro 2-[di(propan-2-yl)amino]-2-fluoroacetate.
What is the SMILES notation for fluoro 2-[di(propan-2-yl)amino]-2-fluoroacetate?
The canonical SMILES for fluoro 2-[di(propan-2-yl)amino]-2-fluoroacetate is CC(C)N(C(C)C)C(F)C(=O)OF.
What is the InChIKey of fluoro 2-[di(propan-2-yl)amino]-2-fluoroacetate?
The InChIKey is LQUPIWMENDTDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO2/c1-5(2)11(6(3)4)7(9)8(12)13-10/h5-7H,1-4H3.
What are the key properties of fluoro 2-[di(propan-2-yl)amino]-2-fluoroacetate?
fluoro 2-[di(propan-2-yl)amino]-2-fluoroacetate has a molecular weight of 195.21 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 2-[di(propan-2-yl)amino]-2-fluoroacetate is sourced from PubChem (CID 174491037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).