(4-fluoropiperidin-4-yl)methanamine;2,2,2-trifluoroacetic acid

C8H14F4N2O2 — CID 166758806

IUPAC(4-fluoropiperidin-4-yl)methanamine;2,2,2-trifluoroacetic acid
SMILESNCC1(F)CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H13FN2.C2HF3O2/c7-6(5-8)1-3-9-4-2-6;3-2(4,5)1(6)7/h9H,1-5,8H2;(H,6,7)
InChIKeyHNGJBZLVQVNEIF-UHFFFAOYSA-N
MW246.20 g/mol
LogP0.67
Rot. Bonds1

About (4-fluoropiperidin-4-yl)methanamine;2,2,2-trifluoroacetic acid

(4-fluoropiperidin-4-yl)methanamine;2,2,2-trifluoroacetic acid (PubChem CID 166758806) has the molecular formula C8H14F4N2O2 and a molecular weight of 246.20 g/mol. Its IUPAC name is (4-fluoropiperidin-4-yl)methanamine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(4-fluoropiperidin-4-yl)methanamine;2,2,2-trifluoroacetic acid
PubChem CID166758806
Molecular FormulaC8H14F4N2O2
Molecular Weight246.20 g/mol
Exact Mass246.10
IUPAC Name(4-fluoropiperidin-4-yl)methanamine;2,2,2-trifluoroacetic acid
SMILESNCC1(F)CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H13FN2.C2HF3O2/c7-6(5-8)1-3-9-4-2-6;3-2(4,5)1(6)7/h9H,1-5,8H2;(H,6,7)
InChIKeyHNGJBZLVQVNEIF-UHFFFAOYSA-N
XLogP0.67
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.20
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-fluoropiperidin-4-yl)methanamine;2,2,2-trifluoroacetic acid?
The IUPAC name of (4-fluoropiperidin-4-yl)methanamine;2,2,2-trifluoroacetic acid (CID 166758806) is (4-fluoropiperidin-4-yl)methanamine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (4-fluoropiperidin-4-yl)methanamine;2,2,2-trifluoroacetic acid?
The canonical SMILES for (4-fluoropiperidin-4-yl)methanamine;2,2,2-trifluoroacetic acid is NCC1(F)CCNCC1.O=C(O)C(F)(F)F.
What is the InChIKey of (4-fluoropiperidin-4-yl)methanamine;2,2,2-trifluoroacetic acid?
The InChIKey is HNGJBZLVQVNEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FN2.C2HF3O2/c7-6(5-8)1-3-9-4-2-6;3-2(4,5)1(6)7/h9H,1-5,8H2;(H,6,7).
What are the key properties of (4-fluoropiperidin-4-yl)methanamine;2,2,2-trifluoroacetic acid?
(4-fluoropiperidin-4-yl)methanamine;2,2,2-trifluoroacetic acid has a molecular weight of 246.20 g/mol, XLogP of 0.67, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoropiperidin-4-yl)methanamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 166758806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).