2-[[(2,2-difluoroacetyl)amino]methyl]cyclopentane-1-carboxylic acid

C9H13F2NO3 — CID 103513352

IUPAC2-[[(2,2-difluoroacetyl)amino]methyl]cyclopentane-1-carboxylic acid
SMILESO=C(NCC1CCCC1C(=O)O)C(F)F
InChIInChI=1S/C9H13F2NO3/c10-7(11)8(13)12-4-5-2-1-3-6(5)9(14)15/h5-7H,1-4H2,(H,12,13)(H,14,15)
InChIKeyLYKGZTHOENGBPC-UHFFFAOYSA-N
MW221.20 g/mol
LogP0.87
Rot. Bonds4

About 2-[[(2,2-difluoroacetyl)amino]methyl]cyclopentane-1-carboxylic acid

2-[[(2,2-difluoroacetyl)amino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 103513352) has the molecular formula C9H13F2NO3 and a molecular weight of 221.20 g/mol. Its IUPAC name is 2-[[(2,2-difluoroacetyl)amino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[(2,2-difluoroacetyl)amino]methyl]cyclopentane-1-carboxylic acid
PubChem CID103513352
Molecular FormulaC9H13F2NO3
Molecular Weight221.20 g/mol
Exact Mass221.09
IUPAC Name2-[[(2,2-difluoroacetyl)amino]methyl]cyclopentane-1-carboxylic acid
SMILESO=C(NCC1CCCC1C(=O)O)C(F)F
InChIInChI=1S/C9H13F2NO3/c10-7(11)8(13)12-4-5-2-1-3-6(5)9(14)15/h5-7H,1-4H2,(H,12,13)(H,14,15)
InChIKeyLYKGZTHOENGBPC-UHFFFAOYSA-N
XLogP0.87
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.20
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1r,4r)-4-[(Trifluoroacetamido)methyl]cyclohexane-1-carboxylic acid
CID 14788219
3-(Trifluoroacetamido)cyclohexane-1-carboxylic acid
CID 14788220
2-Ethyl-6-[(2,2,2-trifluoroacetyl)amino]hexanoic acid
CID 163637953
2-(3,3-Difluoropyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 172686941
(1R,3S)-3-(trifluoroacetamido)cyclohexane-1-carboxylic acid
CID 14788221
1-[2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclopentane-1-carboxylic acid
CID 43396540
2-(2,2,2-Trifluoroethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 43396587
3-(3,3,3-Trifluoropropanoylamino)cyclohexane-1-carboxylic acid
CID 63042725
1-[2-Oxo-2-(3,3,3-trifluoropropylamino)ethyl]cyclopentane-1-carboxylic acid
CID 63225906
2-(3,3,3-Trifluoropropylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63226615
4-(2,2,2-Trifluoroethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63788527
4-[2-(3,3,3-Trifluoropropanoylamino)ethyl]heptanoic acid
CID 64342612

Frequently Asked Questions

What is the IUPAC name of 2-[[(2,2-difluoroacetyl)amino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[(2,2-difluoroacetyl)amino]methyl]cyclopentane-1-carboxylic acid (CID 103513352) is 2-[[(2,2-difluoroacetyl)amino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[(2,2-difluoroacetyl)amino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[(2,2-difluoroacetyl)amino]methyl]cyclopentane-1-carboxylic acid is O=C(NCC1CCCC1C(=O)O)C(F)F.
What is the InChIKey of 2-[[(2,2-difluoroacetyl)amino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is LYKGZTHOENGBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2NO3/c10-7(11)8(13)12-4-5-2-1-3-6(5)9(14)15/h5-7H,1-4H2,(H,12,13)(H,14,15).
What are the key properties of 2-[[(2,2-difluoroacetyl)amino]methyl]cyclopentane-1-carboxylic acid?
2-[[(2,2-difluoroacetyl)amino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 221.20 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2,2-difluoroacetyl)amino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103513352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).