3-[tert-butyl(ethyl)amino]-2,2-difluoropropanoic acid

C9H17F2NO2 — CID 165466732

IUPAC3-[tert-butyl(ethyl)amino]-2,2-difluoropropanoic acid
SMILESCCN(CC(F)(F)C(=O)O)C(C)(C)C
InChIInChI=1S/C9H17F2NO2/c1-5-12(8(2,3)4)6-9(10,11)7(13)14/h5-6H2,1-4H3,(H,13,14)
InChIKeyHPUWIKWGTCKWAN-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.83
Rot. Bonds4

About 3-[tert-butyl(ethyl)amino]-2,2-difluoropropanoic acid

3-[tert-butyl(ethyl)amino]-2,2-difluoropropanoic acid (PubChem CID 165466732) has the molecular formula C9H17F2NO2 and a molecular weight of 209.24 g/mol. Its IUPAC name is 3-[tert-butyl(ethyl)amino]-2,2-difluoropropanoic acid.

Molecular Properties

Compound Name3-[tert-butyl(ethyl)amino]-2,2-difluoropropanoic acid
PubChem CID165466732
Molecular FormulaC9H17F2NO2
Molecular Weight209.24 g/mol
Exact Mass209.12
IUPAC Name3-[tert-butyl(ethyl)amino]-2,2-difluoropropanoic acid
SMILESCCN(CC(F)(F)C(=O)O)C(C)(C)C
InChIInChI=1S/C9H17F2NO2/c1-5-12(8(2,3)4)6-9(10,11)7(13)14/h5-6H2,1-4H3,(H,13,14)
InChIKeyHPUWIKWGTCKWAN-UHFFFAOYSA-N
XLogP1.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(ethyl)amino]-2,2-difluoropropanoic acid?
The IUPAC name of 3-[tert-butyl(ethyl)amino]-2,2-difluoropropanoic acid (CID 165466732) is 3-[tert-butyl(ethyl)amino]-2,2-difluoropropanoic acid.
What is the SMILES notation for 3-[tert-butyl(ethyl)amino]-2,2-difluoropropanoic acid?
The canonical SMILES for 3-[tert-butyl(ethyl)amino]-2,2-difluoropropanoic acid is CCN(CC(F)(F)C(=O)O)C(C)(C)C.
What is the InChIKey of 3-[tert-butyl(ethyl)amino]-2,2-difluoropropanoic acid?
The InChIKey is HPUWIKWGTCKWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO2/c1-5-12(8(2,3)4)6-9(10,11)7(13)14/h5-6H2,1-4H3,(H,13,14).
What are the key properties of 3-[tert-butyl(ethyl)amino]-2,2-difluoropropanoic acid?
3-[tert-butyl(ethyl)amino]-2,2-difluoropropanoic acid has a molecular weight of 209.24 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(ethyl)amino]-2,2-difluoropropanoic acid is sourced from PubChem (CID 165466732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).