2-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]acetic acid

C9H14F4N2O2 — CID 119135540

IUPAC2-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(CC(F)(F)C(F)F)CC1
InChIInChI=1S/C9H14F4N2O2/c10-8(11)9(12,13)6-15-3-1-14(2-4-15)5-7(16)17/h8H,1-6H2,(H,16,17)
InChIKeyARNWLVXYDHKDFE-UHFFFAOYSA-N
MW258.21 g/mol
LogP0.59
Rot. Bonds5

About 2-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]acetic acid

2-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]acetic acid (PubChem CID 119135540) has the molecular formula C9H14F4N2O2 and a molecular weight of 258.21 g/mol. Its IUPAC name is 2-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]acetic acid
PubChem CID119135540
Molecular FormulaC9H14F4N2O2
Molecular Weight258.21 g/mol
Exact Mass258.10
IUPAC Name2-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(CC(F)(F)C(F)F)CC1
InChIInChI=1S/C9H14F4N2O2/c10-8(11)9(12,13)6-15-3-1-14(2-4-15)5-7(16)17/h8H,1-6H2,(H,16,17)
InChIKeyARNWLVXYDHKDFE-UHFFFAOYSA-N
XLogP0.59
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.21
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

copper 2-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]acetic acid
CID 6398176
2-amino-2-methyl-1-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119887927
(2R)-2-phenyl-2-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]acetamide
CID 96547909
(2S)-2-amino-3,3-dimethyl-1-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]butan-1-one
CID 119887954
4-amino-1-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]butan-1-one
CID 119887986
4-(2,2,3,3-tetrafluoropropyl)morpholine
CID 12554036
2-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
CID 86952141
N-(4-hydroxycyclohexyl)-4-(2,2,3,3-tetrafluoropropyl)piperazine-1-carboxamide
CID 111335675
pyrrolidin-3-yl-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methanone
CID 119887988
2-[4-(difluoromethyl)piperidin-1-yl]acetic acid
CID 121215401
2-[5-(carboxymethyl)-1,5-diazocan-1-yl]acetic acid
CID 4776245
CID 157263533
CID 157263533

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]acetic acid (CID 119135540) is 2-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]acetic acid is O=C(O)CN1CCN(CC(F)(F)C(F)F)CC1.
What is the InChIKey of 2-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]acetic acid?
The InChIKey is ARNWLVXYDHKDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F4N2O2/c10-8(11)9(12,13)6-15-3-1-14(2-4-15)5-7(16)17/h8H,1-6H2,(H,16,17).
What are the key properties of 2-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]acetic acid?
2-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]acetic acid has a molecular weight of 258.21 g/mol, XLogP of 0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]acetic acid is sourced from PubChem (CID 119135540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).