2-[1-[(2,2-difluoroacetyl)amino]cyclopentyl]acetic acid

C9H13F2NO3 — CID 103513328

IUPAC2-[1-[(2,2-difluoroacetyl)amino]cyclopentyl]acetic acid
SMILESO=C(O)CC1(NC(=O)C(F)F)CCCC1
InChIInChI=1S/C9H13F2NO3/c10-7(11)8(15)12-9(5-6(13)14)3-1-2-4-9/h7H,1-5H2,(H,12,15)(H,13,14)
InChIKeyHIVAGSNDRAXENW-UHFFFAOYSA-N
MW221.20 g/mol
LogP1.16
Rot. Bonds4

About 2-[1-[(2,2-difluoroacetyl)amino]cyclopentyl]acetic acid

2-[1-[(2,2-difluoroacetyl)amino]cyclopentyl]acetic acid (PubChem CID 103513328) has the molecular formula C9H13F2NO3 and a molecular weight of 221.20 g/mol. Its IUPAC name is 2-[1-[(2,2-difluoroacetyl)amino]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2,2-difluoroacetyl)amino]cyclopentyl]acetic acid
PubChem CID103513328
Molecular FormulaC9H13F2NO3
Molecular Weight221.20 g/mol
Exact Mass221.09
IUPAC Name2-[1-[(2,2-difluoroacetyl)amino]cyclopentyl]acetic acid
SMILESO=C(O)CC1(NC(=O)C(F)F)CCCC1
InChIInChI=1S/C9H13F2NO3/c10-7(11)8(15)12-9(5-6(13)14)3-1-2-4-9/h7H,1-5H2,(H,12,15)(H,13,14)
InChIKeyHIVAGSNDRAXENW-UHFFFAOYSA-N
XLogP1.16
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 ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,2-difluoroacetyl)amino]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[(2,2-difluoroacetyl)amino]cyclopentyl]acetic acid (CID 103513328) is 2-[1-[(2,2-difluoroacetyl)amino]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[(2,2-difluoroacetyl)amino]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[(2,2-difluoroacetyl)amino]cyclopentyl]acetic acid is O=C(O)CC1(NC(=O)C(F)F)CCCC1.
What is the InChIKey of 2-[1-[(2,2-difluoroacetyl)amino]cyclopentyl]acetic acid?
The InChIKey is HIVAGSNDRAXENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2NO3/c10-7(11)8(15)12-9(5-6(13)14)3-1-2-4-9/h7H,1-5H2,(H,12,15)(H,13,14).
What are the key properties of 2-[1-[(2,2-difluoroacetyl)amino]cyclopentyl]acetic acid?
2-[1-[(2,2-difluoroacetyl)amino]cyclopentyl]acetic acid has a molecular weight of 221.20 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,2-difluoroacetyl)amino]cyclopentyl]acetic acid is sourced from PubChem (CID 103513328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).