3,3-difluoro-N-(3-fluorocyclobutyl)-1-prop-1-en-2-ylpiperidin-4-amine

C12H19F3N2 — CID 178157123

IUPAC3,3-difluoro-N-(3-fluorocyclobutyl)-1-prop-1-en-2-ylpiperidin-4-amine
SMILESC=C(C)N1CCC(NC2CC(F)C2)C(F)(F)C1
InChIInChI=1S/C12H19F3N2/c1-8(2)17-4-3-11(12(14,15)7-17)16-10-5-9(13)6-10/h9-11,16H,1,3-7H2,2H3
InChIKeyIHUJWPFFKHJCID-UHFFFAOYSA-N
MW248.29 g/mol
LogP2.32
Rot. Bonds3

About 3,3-difluoro-N-(3-fluorocyclobutyl)-1-prop-1-en-2-ylpiperidin-4-amine

3,3-difluoro-N-(3-fluorocyclobutyl)-1-prop-1-en-2-ylpiperidin-4-amine (PubChem CID 178157123) has the molecular formula C12H19F3N2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 3,3-difluoro-N-(3-fluorocyclobutyl)-1-prop-1-en-2-ylpiperidin-4-amine.

Molecular Properties

Compound Name3,3-difluoro-N-(3-fluorocyclobutyl)-1-prop-1-en-2-ylpiperidin-4-amine
PubChem CID178157123
Molecular FormulaC12H19F3N2
Molecular Weight248.29 g/mol
Exact Mass248.15
IUPAC Name3,3-difluoro-N-(3-fluorocyclobutyl)-1-prop-1-en-2-ylpiperidin-4-amine
SMILESC=C(C)N1CCC(NC2CC(F)C2)C(F)(F)C1
InChIInChI=1S/C12H19F3N2/c1-8(2)17-4-3-11(12(14,15)7-17)16-10-5-9(13)6-10/h9-11,16H,1,3-7H2,2H3
InChIKeyIHUJWPFFKHJCID-UHFFFAOYSA-N
XLogP2.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-(3-fluorocyclobutyl)-1-prop-1-en-2-ylpiperidin-4-amine?
The IUPAC name of 3,3-difluoro-N-(3-fluorocyclobutyl)-1-prop-1-en-2-ylpiperidin-4-amine (CID 178157123) is 3,3-difluoro-N-(3-fluorocyclobutyl)-1-prop-1-en-2-ylpiperidin-4-amine.
What is the SMILES notation for 3,3-difluoro-N-(3-fluorocyclobutyl)-1-prop-1-en-2-ylpiperidin-4-amine?
The canonical SMILES for 3,3-difluoro-N-(3-fluorocyclobutyl)-1-prop-1-en-2-ylpiperidin-4-amine is C=C(C)N1CCC(NC2CC(F)C2)C(F)(F)C1.
What is the InChIKey of 3,3-difluoro-N-(3-fluorocyclobutyl)-1-prop-1-en-2-ylpiperidin-4-amine?
The InChIKey is IHUJWPFFKHJCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2/c1-8(2)17-4-3-11(12(14,15)7-17)16-10-5-9(13)6-10/h9-11,16H,1,3-7H2,2H3.
What are the key properties of 3,3-difluoro-N-(3-fluorocyclobutyl)-1-prop-1-en-2-ylpiperidin-4-amine?
3,3-difluoro-N-(3-fluorocyclobutyl)-1-prop-1-en-2-ylpiperidin-4-amine has a molecular weight of 248.29 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-(3-fluorocyclobutyl)-1-prop-1-en-2-ylpiperidin-4-amine is sourced from PubChem (CID 178157123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).