4-(2,2-difluoroethoxy)-3-(1,2,2-trifluoroethoxy)piperidine-1-carboxylic acid

C10H14F5NO4 — CID 175542890

IUPAC4-(2,2-difluoroethoxy)-3-(1,2,2-trifluoroethoxy)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(OCC(F)F)C(OC(F)C(F)F)C1
InChIInChI=1S/C10H14F5NO4/c11-7(12)4-19-5-1-2-16(10(17)18)3-6(5)20-9(15)8(13)14/h5-9H,1-4H2,(H,17,18)
InChIKeyVNWPCDDDAXBRGA-UHFFFAOYSA-N
MW307.22 g/mol
LogP1.97
Rot. Bonds6

About 4-(2,2-difluoroethoxy)-3-(1,2,2-trifluoroethoxy)piperidine-1-carboxylic acid

4-(2,2-difluoroethoxy)-3-(1,2,2-trifluoroethoxy)piperidine-1-carboxylic acid (PubChem CID 175542890) has the molecular formula C10H14F5NO4 and a molecular weight of 307.22 g/mol. Its IUPAC name is 4-(2,2-difluoroethoxy)-3-(1,2,2-trifluoroethoxy)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(2,2-difluoroethoxy)-3-(1,2,2-trifluoroethoxy)piperidine-1-carboxylic acid
PubChem CID175542890
Molecular FormulaC10H14F5NO4
Molecular Weight307.22 g/mol
Exact Mass307.08
IUPAC Name4-(2,2-difluoroethoxy)-3-(1,2,2-trifluoroethoxy)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(OCC(F)F)C(OC(F)C(F)F)C1
InChIInChI=1S/C10H14F5NO4/c11-7(12)4-19-5-1-2-16(10(17)18)3-6(5)20-9(15)8(13)14/h5-9H,1-4H2,(H,17,18)
InChIKeyVNWPCDDDAXBRGA-UHFFFAOYSA-N
XLogP1.97
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.22
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethoxy)-3-(1,2,2-trifluoroethoxy)piperidine-1-carboxylic acid?
The IUPAC name of 4-(2,2-difluoroethoxy)-3-(1,2,2-trifluoroethoxy)piperidine-1-carboxylic acid (CID 175542890) is 4-(2,2-difluoroethoxy)-3-(1,2,2-trifluoroethoxy)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(2,2-difluoroethoxy)-3-(1,2,2-trifluoroethoxy)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(2,2-difluoroethoxy)-3-(1,2,2-trifluoroethoxy)piperidine-1-carboxylic acid is O=C(O)N1CCC(OCC(F)F)C(OC(F)C(F)F)C1.
What is the InChIKey of 4-(2,2-difluoroethoxy)-3-(1,2,2-trifluoroethoxy)piperidine-1-carboxylic acid?
The InChIKey is VNWPCDDDAXBRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F5NO4/c11-7(12)4-19-5-1-2-16(10(17)18)3-6(5)20-9(15)8(13)14/h5-9H,1-4H2,(H,17,18).
What are the key properties of 4-(2,2-difluoroethoxy)-3-(1,2,2-trifluoroethoxy)piperidine-1-carboxylic acid?
4-(2,2-difluoroethoxy)-3-(1,2,2-trifluoroethoxy)piperidine-1-carboxylic acid has a molecular weight of 307.22 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethoxy)-3-(1,2,2-trifluoroethoxy)piperidine-1-carboxylic acid is sourced from PubChem (CID 175542890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).