4-[2,2-difluoroethyl(propan-2-yl)amino]butanoic acid

C9H17F2NO2 — CID 60922808

IUPAC4-[2,2-difluoroethyl(propan-2-yl)amino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)CC(F)F
InChIInChI=1S/C9H17F2NO2/c1-7(2)12(6-8(10)11)5-3-4-9(13)14/h7-8H,3-6H2,1-2H3,(H,13,14)
InChIKeyFUCMPWVUKDTFAY-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.83
Rot. Bonds7

About 4-[2,2-difluoroethyl(propan-2-yl)amino]butanoic acid

4-[2,2-difluoroethyl(propan-2-yl)amino]butanoic acid (PubChem CID 60922808) has the molecular formula C9H17F2NO2 and a molecular weight of 209.24 g/mol. Its IUPAC name is 4-[2,2-difluoroethyl(propan-2-yl)amino]butanoic acid.

Molecular Properties

Compound Name4-[2,2-difluoroethyl(propan-2-yl)amino]butanoic acid
PubChem CID60922808
Molecular FormulaC9H17F2NO2
Molecular Weight209.24 g/mol
Exact Mass209.12
IUPAC Name4-[2,2-difluoroethyl(propan-2-yl)amino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)CC(F)F
InChIInChI=1S/C9H17F2NO2/c1-7(2)12(6-8(10)11)5-3-4-9(13)14/h7-8H,3-6H2,1-2H3,(H,13,14)
InChIKeyFUCMPWVUKDTFAY-UHFFFAOYSA-N
XLogP1.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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 4-[2,2-difluoroethyl(propan-2-yl)amino]butanoic acid?
The IUPAC name of 4-[2,2-difluoroethyl(propan-2-yl)amino]butanoic acid (CID 60922808) is 4-[2,2-difluoroethyl(propan-2-yl)amino]butanoic acid.
What is the SMILES notation for 4-[2,2-difluoroethyl(propan-2-yl)amino]butanoic acid?
The canonical SMILES for 4-[2,2-difluoroethyl(propan-2-yl)amino]butanoic acid is CC(C)N(CCCC(=O)O)CC(F)F.
What is the InChIKey of 4-[2,2-difluoroethyl(propan-2-yl)amino]butanoic acid?
The InChIKey is FUCMPWVUKDTFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO2/c1-7(2)12(6-8(10)11)5-3-4-9(13)14/h7-8H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 4-[2,2-difluoroethyl(propan-2-yl)amino]butanoic acid?
4-[2,2-difluoroethyl(propan-2-yl)amino]butanoic acid has a molecular weight of 209.24 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,2-difluoroethyl(propan-2-yl)amino]butanoic acid is sourced from PubChem (CID 60922808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).