2-(4,4-difluorobutylamino)acetic acid

C6H11F2NO2 — CID 171702884

IUPAC2-(4,4-difluorobutylamino)acetic acid
SMILESO=C(O)CNCCCC(F)F
InChIInChI=1S/C6H11F2NO2/c7-5(8)2-1-3-9-4-6(10)11/h5,9H,1-4H2,(H,10,11)
InChIKeyZTCXPBBAAOFDHP-UHFFFAOYSA-N
MW167.16 g/mol
LogP0.71
Rot. Bonds6

About 2-(4,4-difluorobutylamino)acetic acid

2-(4,4-difluorobutylamino)acetic acid (PubChem CID 171702884) has the molecular formula C6H11F2NO2 and a molecular weight of 167.16 g/mol. Its IUPAC name is 2-(4,4-difluorobutylamino)acetic acid.

Molecular Properties

Compound Name2-(4,4-difluorobutylamino)acetic acid
PubChem CID171702884
Molecular FormulaC6H11F2NO2
Molecular Weight167.16 g/mol
Exact Mass167.08
IUPAC Name2-(4,4-difluorobutylamino)acetic acid
SMILESO=C(O)CNCCCC(F)F
InChIInChI=1S/C6H11F2NO2/c7-5(8)2-1-3-9-4-6(10)11/h5,9H,1-4H2,(H,10,11)
InChIKeyZTCXPBBAAOFDHP-UHFFFAOYSA-N
XLogP0.71
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-hydroxypentylamino)acetic acid
CID 91143486
2-(4-hydroxybutylamino)acetic acid
CID 22121765
sodium 2-(3-hydroxypropylamino)acetic acid
CID 21242628
2-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-(tetradecylamino)butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]acetic acid
CID 175074033
CID 174952903
CID 174952903
2-(3,3-diaminopropylamino)acetic acid
CID 150012608
sodium;2-(hexadecylamino)acetic acid;hydride
CID 174739572
2-[2-[2-(hexadecylamino)ethylamino]ethylamino]acetic acid
CID 10091506
2-aminohexanoic acid;2-aminopentanoic acid;2-(butylamino)acetic acid
CID 174666558
2-(carboxymethylamino)acetic acid
CID 8897
2-[3-(2-aminoethylsulfanyl)propylamino]acetic acid
CID 175755991
2-[[(Z)-18-methylnonadec-9-enyl]amino]acetic acid
CID 135241938

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluorobutylamino)acetic acid?
The IUPAC name of 2-(4,4-difluorobutylamino)acetic acid (CID 171702884) is 2-(4,4-difluorobutylamino)acetic acid.
What is the SMILES notation for 2-(4,4-difluorobutylamino)acetic acid?
The canonical SMILES for 2-(4,4-difluorobutylamino)acetic acid is O=C(O)CNCCCC(F)F.
What is the InChIKey of 2-(4,4-difluorobutylamino)acetic acid?
The InChIKey is ZTCXPBBAAOFDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO2/c7-5(8)2-1-3-9-4-6(10)11/h5,9H,1-4H2,(H,10,11).
What are the key properties of 2-(4,4-difluorobutylamino)acetic acid?
2-(4,4-difluorobutylamino)acetic acid has a molecular weight of 167.16 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluorobutylamino)acetic acid is sourced from PubChem (CID 171702884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).