3,3-difluoropiperidine;2,2,2-trifluoroacetic acid

C7H10F5NO2 — CID 174927195

IUPAC3,3-difluoropiperidine;2,2,2-trifluoroacetic acid
SMILESFC1(F)CCCNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C5H9F2N.C2HF3O2/c6-5(7)2-1-3-8-4-5;3-2(4,5)1(6)7/h8H,1-4H2;(H,6,7)
InChIKeyRTJHSCSUTKIAFP-UHFFFAOYSA-N
MW235.15 g/mol
LogP1.64
Rot. Bonds

About 3,3-difluoropiperidine;2,2,2-trifluoroacetic acid

3,3-difluoropiperidine;2,2,2-trifluoroacetic acid (PubChem CID 174927195) has the molecular formula C7H10F5NO2 and a molecular weight of 235.15 g/mol. Its IUPAC name is 3,3-difluoropiperidine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3,3-difluoropiperidine;2,2,2-trifluoroacetic acid
PubChem CID174927195
Molecular FormulaC7H10F5NO2
Molecular Weight235.15 g/mol
Exact Mass235.06
IUPAC Name3,3-difluoropiperidine;2,2,2-trifluoroacetic acid
SMILESFC1(F)CCCNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C5H9F2N.C2HF3O2/c6-5(7)2-1-3-8-4-5;3-2(4,5)1(6)7/h8H,1-4H2;(H,6,7)
InChIKeyRTJHSCSUTKIAFP-UHFFFAOYSA-N
XLogP1.64
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.15
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 118798396
pyrrolidine;2,2,2-trifluoroacetic acid
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CID 142117389
6-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid
CID 90185681
2,7-diazaspiro[3.4]octane;2,2,2-trifluoroacetic acid
CID 175831728
2,9-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid
CID 160560664
azepane;2,2,2-trifluoroacetic acid;hydrate
CID 157278760
but-2-yne;cyclohexane;3,3-difluoropiperidine
CID 144886146
piperazine;bis(2,2,2-trifluoroacetic acid)
CID 88726631
7,7-difluoro-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid
CID 91663925
spiro[2.5]octane;2,2,2-trifluoroacetic acid
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4-propan-2-ylpiperidin-4-ol;2,2,2-trifluoroacetic acid
CID 68600448

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoropiperidine;2,2,2-trifluoroacetic acid?
The IUPAC name of 3,3-difluoropiperidine;2,2,2-trifluoroacetic acid (CID 174927195) is 3,3-difluoropiperidine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3,3-difluoropiperidine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3,3-difluoropiperidine;2,2,2-trifluoroacetic acid is FC1(F)CCCNC1.O=C(O)C(F)(F)F.
What is the InChIKey of 3,3-difluoropiperidine;2,2,2-trifluoroacetic acid?
The InChIKey is RTJHSCSUTKIAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2N.C2HF3O2/c6-5(7)2-1-3-8-4-5;3-2(4,5)1(6)7/h8H,1-4H2;(H,6,7).
What are the key properties of 3,3-difluoropiperidine;2,2,2-trifluoroacetic acid?
3,3-difluoropiperidine;2,2,2-trifluoroacetic acid has a molecular weight of 235.15 g/mol, XLogP of 1.64, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoropiperidine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 174927195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).