2,2-difluoro-3-(propan-2-ylamino)propanoic acid

C6H11F2NO2 — CID 123352661

IUPAC2,2-difluoro-3-(propan-2-ylamino)propanoic acid
SMILESCC(C)NCC(F)(F)C(=O)O
InChIInChI=1S/C6H11F2NO2/c1-4(2)9-3-6(7,8)5(10)11/h4,9H,3H2,1-2H3,(H,10,11)
InChIKeyCWYTZPHVFABGOB-UHFFFAOYSA-N
MW167.16 g/mol
LogP0.70
Rot. Bonds4

About 2,2-difluoro-3-(propan-2-ylamino)propanoic acid

2,2-difluoro-3-(propan-2-ylamino)propanoic acid (PubChem CID 123352661) has the molecular formula C6H11F2NO2 and a molecular weight of 167.16 g/mol. Its IUPAC name is 2,2-difluoro-3-(propan-2-ylamino)propanoic acid.

Molecular Properties

Compound Name2,2-difluoro-3-(propan-2-ylamino)propanoic acid
PubChem CID123352661
Molecular FormulaC6H11F2NO2
Molecular Weight167.16 g/mol
Exact Mass167.08
IUPAC Name2,2-difluoro-3-(propan-2-ylamino)propanoic acid
SMILESCC(C)NCC(F)(F)C(=O)O
InChIInChI=1S/C6H11F2NO2/c1-4(2)9-3-6(7,8)5(10)11/h4,9H,3H2,1-2H3,(H,10,11)
InChIKeyCWYTZPHVFABGOB-UHFFFAOYSA-N
XLogP0.70
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(propan-2-ylamino)propanoic acid?
The IUPAC name of 2,2-difluoro-3-(propan-2-ylamino)propanoic acid (CID 123352661) is 2,2-difluoro-3-(propan-2-ylamino)propanoic acid.
What is the SMILES notation for 2,2-difluoro-3-(propan-2-ylamino)propanoic acid?
The canonical SMILES for 2,2-difluoro-3-(propan-2-ylamino)propanoic acid is CC(C)NCC(F)(F)C(=O)O.
What is the InChIKey of 2,2-difluoro-3-(propan-2-ylamino)propanoic acid?
The InChIKey is CWYTZPHVFABGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO2/c1-4(2)9-3-6(7,8)5(10)11/h4,9H,3H2,1-2H3,(H,10,11).
What are the key properties of 2,2-difluoro-3-(propan-2-ylamino)propanoic acid?
2,2-difluoro-3-(propan-2-ylamino)propanoic acid has a molecular weight of 167.16 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(propan-2-ylamino)propanoic acid is sourced from PubChem (CID 123352661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).