3-fluoropyrrolidine;2,2,2-trifluoroacetic acid

C6H9F4NO2 — CID 155896849

IUPAC3-fluoropyrrolidine;2,2,2-trifluoroacetic acid
SMILESFC1CCNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C4H8FN.C2HF3O2/c5-4-1-2-6-3-4;3-2(4,5)1(6)7/h4,6H,1-3H2;(H,6,7)
InChIKeyVTYLZCONABUKGY-UHFFFAOYSA-N
MW203.13 g/mol
LogP0.95
Rot. Bonds

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

3-fluoropyrrolidine;2,2,2-trifluoroacetic acid (PubChem CID 155896849) has the molecular formula C6H9F4NO2 and a molecular weight of 203.13 g/mol. Its IUPAC name is 3-fluoropyrrolidine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-fluoropyrrolidine;2,2,2-trifluoroacetic acid
PubChem CID155896849
Molecular FormulaC6H9F4NO2
Molecular Weight203.13 g/mol
Exact Mass203.06
IUPAC Name3-fluoropyrrolidine;2,2,2-trifluoroacetic acid
SMILESFC1CCNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C4H8FN.C2HF3O2/c5-4-1-2-6-3-4;3-2(4,5)1(6)7/h4,6H,1-3H2;(H,6,7)
InChIKeyVTYLZCONABUKGY-UHFFFAOYSA-N
XLogP0.95
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.13
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-pyrrolidin-3-amine;2,2,2-trifluoroacetic acid
CID 172762354
(3S)-3-fluoropyrrolidine;molecular hydrogen
CID 142415652
(3R)-3-fluoropyrrolidine;molecular hydrogen
CID 178127411
bicyclo[2.2.2]octane;bis(2,2,2-trifluoroacetic acid)
CID 87462470
piperazine;bis(2,2,2-trifluoroacetic acid)
CID 88726631
4-[(3S)-3-fluoropyrrolidin-1-yl]piperidine;2,2,2-trifluoroacetic acid
CID 68601866
(3R)-N-propan-2-ylpyrrolidin-3-amine;bis(2,2,2-trifluoroacetic acid)
CID 86642075
N-methyl-N-pyrrolidin-3-ylacetamide;2,2,2-trifluoroacetic acid
CID 156620205
(3S)-N-cyclopropylpyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 171930235
2-methylmorpholine;2,2,2-trifluoroacetic acid
CID 68841730
piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 68619388
pyrrolidine-3,4-diol;2,2,2-trifluoroacetic acid
CID 175175789

Frequently Asked Questions

What is the IUPAC name of 3-fluoropyrrolidine;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-fluoropyrrolidine;2,2,2-trifluoroacetic acid (CID 155896849) is 3-fluoropyrrolidine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-fluoropyrrolidine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-fluoropyrrolidine;2,2,2-trifluoroacetic acid is FC1CCNC1.O=C(O)C(F)(F)F.
What is the InChIKey of 3-fluoropyrrolidine;2,2,2-trifluoroacetic acid?
The InChIKey is VTYLZCONABUKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8FN.C2HF3O2/c5-4-1-2-6-3-4;3-2(4,5)1(6)7/h4,6H,1-3H2;(H,6,7).
What are the key properties of 3-fluoropyrrolidine;2,2,2-trifluoroacetic acid?
3-fluoropyrrolidine;2,2,2-trifluoroacetic acid has a molecular weight of 203.13 g/mol, XLogP of 0.95, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoropyrrolidine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155896849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).