4-(2,2-difluoroethylamino)pentanoic acid

C7H13F2NO2 — CID 115405874

IUPAC4-(2,2-difluoroethylamino)pentanoic acid
SMILESCC(CCC(=O)O)NCC(F)F
InChIInChI=1S/C7H13F2NO2/c1-5(2-3-7(11)12)10-4-6(8)9/h5-6,10H,2-4H2,1H3,(H,11,12)
InChIKeyCKTVCISUBWWBGB-UHFFFAOYSA-N
MW181.18 g/mol
LogP1.09
Rot. Bonds6

About 4-(2,2-difluoroethylamino)pentanoic acid

4-(2,2-difluoroethylamino)pentanoic acid (PubChem CID 115405874) has the molecular formula C7H13F2NO2 and a molecular weight of 181.18 g/mol. Its IUPAC name is 4-(2,2-difluoroethylamino)pentanoic acid.

Molecular Properties

Compound Name4-(2,2-difluoroethylamino)pentanoic acid
PubChem CID115405874
Molecular FormulaC7H13F2NO2
Molecular Weight181.18 g/mol
Exact Mass181.09
IUPAC Name4-(2,2-difluoroethylamino)pentanoic acid
SMILESCC(CCC(=O)O)NCC(F)F
InChIInChI=1S/C7H13F2NO2/c1-5(2-3-7(11)12)10-4-6(8)9/h5-6,10H,2-4H2,1H3,(H,11,12)
InChIKeyCKTVCISUBWWBGB-UHFFFAOYSA-N
XLogP1.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.18
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-methoxy-2-methylpropyl)amino]pentanoic acid
CID 104759577
4-(6-hydroxyhexylamino)pentanoic acid
CID 107849657
4-[3-(2,2-difluoroethoxy)propanoylamino]pentanoic acid
CID 103206025
4-fluoro-5-methylhexanoic acid
CID 83855194
4-(2-carbamoyloxyethylamino)pentanoic acid
CID 83209314
(4R)-4-[(4-methoxy-4-oxobutyl)amino]pentanoic acid
CID 87857187
4-[(2-hydroxy-2,4-dimethylpentyl)amino]pentanoic acid
CID 66178586
4-[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]pentanoic acid
CID 107795132
5-[(2,2-difluoroacetyl)amino]-4-methylpentanoic acid
CID 103513451
4-[2-(2,2-difluoroethoxy)ethylcarbamoylamino]pentanoic acid
CID 114128588
4-amino-5-fluorohexanoic acid
CID 78098113
4-[2-(2-amino-2-oxoethoxy)ethylamino]pentanoic acid
CID 106235413

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethylamino)pentanoic acid?
The IUPAC name of 4-(2,2-difluoroethylamino)pentanoic acid (CID 115405874) is 4-(2,2-difluoroethylamino)pentanoic acid.
What is the SMILES notation for 4-(2,2-difluoroethylamino)pentanoic acid?
The canonical SMILES for 4-(2,2-difluoroethylamino)pentanoic acid is CC(CCC(=O)O)NCC(F)F.
What is the InChIKey of 4-(2,2-difluoroethylamino)pentanoic acid?
The InChIKey is CKTVCISUBWWBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO2/c1-5(2-3-7(11)12)10-4-6(8)9/h5-6,10H,2-4H2,1H3,(H,11,12).
What are the key properties of 4-(2,2-difluoroethylamino)pentanoic acid?
4-(2,2-difluoroethylamino)pentanoic acid has a molecular weight of 181.18 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethylamino)pentanoic acid is sourced from PubChem (CID 115405874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).