4,4-difluoro-1-(5-fluorocyclohexa-2,4-dien-1-yl)piperidin-3-amine

C11H15F3N2 — CID 175959387

IUPAC4,4-difluoro-1-(5-fluorocyclohexa-2,4-dien-1-yl)piperidin-3-amine
SMILESNC1CN(C2C=CC=C(F)C2)CCC1(F)F
InChIInChI=1S/C11H15F3N2/c12-8-2-1-3-9(6-8)16-5-4-11(13,14)10(15)7-16/h1-3,9-10H,4-7,15H2
InChIKeyVFNPICLPNOOAJD-UHFFFAOYSA-N
MW232.25 g/mol
LogP1.84
Rot. Bonds1

About 4,4-difluoro-1-(5-fluorocyclohexa-2,4-dien-1-yl)piperidin-3-amine

4,4-difluoro-1-(5-fluorocyclohexa-2,4-dien-1-yl)piperidin-3-amine (PubChem CID 175959387) has the molecular formula C11H15F3N2 and a molecular weight of 232.25 g/mol. Its IUPAC name is 4,4-difluoro-1-(5-fluorocyclohexa-2,4-dien-1-yl)piperidin-3-amine.

Molecular Properties

Compound Name4,4-difluoro-1-(5-fluorocyclohexa-2,4-dien-1-yl)piperidin-3-amine
PubChem CID175959387
Molecular FormulaC11H15F3N2
Molecular Weight232.25 g/mol
Exact Mass232.12
IUPAC Name4,4-difluoro-1-(5-fluorocyclohexa-2,4-dien-1-yl)piperidin-3-amine
SMILESNC1CN(C2C=CC=C(F)C2)CCC1(F)F
InChIInChI=1S/C11H15F3N2/c12-8-2-1-3-9(6-8)16-5-4-11(13,14)10(15)7-16/h1-3,9-10H,4-7,15H2
InChIKeyVFNPICLPNOOAJD-UHFFFAOYSA-N
XLogP1.84
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-(5-fluorocyclohexa-2,4-dien-1-yl)piperidin-3-amine?
The IUPAC name of 4,4-difluoro-1-(5-fluorocyclohexa-2,4-dien-1-yl)piperidin-3-amine (CID 175959387) is 4,4-difluoro-1-(5-fluorocyclohexa-2,4-dien-1-yl)piperidin-3-amine.
What is the SMILES notation for 4,4-difluoro-1-(5-fluorocyclohexa-2,4-dien-1-yl)piperidin-3-amine?
The canonical SMILES for 4,4-difluoro-1-(5-fluorocyclohexa-2,4-dien-1-yl)piperidin-3-amine is NC1CN(C2C=CC=C(F)C2)CCC1(F)F.
What is the InChIKey of 4,4-difluoro-1-(5-fluorocyclohexa-2,4-dien-1-yl)piperidin-3-amine?
The InChIKey is VFNPICLPNOOAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2/c12-8-2-1-3-9(6-8)16-5-4-11(13,14)10(15)7-16/h1-3,9-10H,4-7,15H2.
What are the key properties of 4,4-difluoro-1-(5-fluorocyclohexa-2,4-dien-1-yl)piperidin-3-amine?
4,4-difluoro-1-(5-fluorocyclohexa-2,4-dien-1-yl)piperidin-3-amine has a molecular weight of 232.25 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-(5-fluorocyclohexa-2,4-dien-1-yl)piperidin-3-amine is sourced from PubChem (CID 175959387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).