[2,3-difluoro-4-[4-(trifluoromethyl)piperidin-1-yl]phenyl]methanamine

C13H15F5N2 — CID 107932981

IUPAC[2,3-difluoro-4-[4-(trifluoromethyl)piperidin-1-yl]phenyl]methanamine
SMILESNCc1ccc(N2CCC(C(F)(F)F)CC2)c(F)c1F
InChIInChI=1S/C13H15F5N2/c14-11-8(7-19)1-2-10(12(11)15)20-5-3-9(4-6-20)13(16,17)18/h1-2,9H,3-7,19H2
InChIKeyYMGOCNCJZXRYFH-UHFFFAOYSA-N
MW294.27 g/mol
LogP3.20
Rot. Bonds2

About [2,3-difluoro-4-[4-(trifluoromethyl)piperidin-1-yl]phenyl]methanamine

[2,3-difluoro-4-[4-(trifluoromethyl)piperidin-1-yl]phenyl]methanamine (PubChem CID 107932981) has the molecular formula C13H15F5N2 and a molecular weight of 294.27 g/mol. Its IUPAC name is [2,3-difluoro-4-[4-(trifluoromethyl)piperidin-1-yl]phenyl]methanamine.

Molecular Properties

Compound Name[2,3-difluoro-4-[4-(trifluoromethyl)piperidin-1-yl]phenyl]methanamine
PubChem CID107932981
Molecular FormulaC13H15F5N2
Molecular Weight294.27 g/mol
Exact Mass294.12
IUPAC Name[2,3-difluoro-4-[4-(trifluoromethyl)piperidin-1-yl]phenyl]methanamine
SMILESNCc1ccc(N2CCC(C(F)(F)F)CC2)c(F)c1F
InChIInChI=1S/C13H15F5N2/c14-11-8(7-19)1-2-10(12(11)15)20-5-3-9(4-6-20)13(16,17)18/h1-2,9H,3-7,19H2
InChIKeyYMGOCNCJZXRYFH-UHFFFAOYSA-N
XLogP3.20
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2,3-difluoro-4-[4-(trifluoromethyl)piperidin-1-yl]phenyl]methanamine?
The IUPAC name of [2,3-difluoro-4-[4-(trifluoromethyl)piperidin-1-yl]phenyl]methanamine (CID 107932981) is [2,3-difluoro-4-[4-(trifluoromethyl)piperidin-1-yl]phenyl]methanamine.
What is the SMILES notation for [2,3-difluoro-4-[4-(trifluoromethyl)piperidin-1-yl]phenyl]methanamine?
The canonical SMILES for [2,3-difluoro-4-[4-(trifluoromethyl)piperidin-1-yl]phenyl]methanamine is NCc1ccc(N2CCC(C(F)(F)F)CC2)c(F)c1F.
What is the InChIKey of [2,3-difluoro-4-[4-(trifluoromethyl)piperidin-1-yl]phenyl]methanamine?
The InChIKey is YMGOCNCJZXRYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F5N2/c14-11-8(7-19)1-2-10(12(11)15)20-5-3-9(4-6-20)13(16,17)18/h1-2,9H,3-7,19H2.
What are the key properties of [2,3-difluoro-4-[4-(trifluoromethyl)piperidin-1-yl]phenyl]methanamine?
[2,3-difluoro-4-[4-(trifluoromethyl)piperidin-1-yl]phenyl]methanamine has a molecular weight of 294.27 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-difluoro-4-[4-(trifluoromethyl)piperidin-1-yl]phenyl]methanamine is sourced from PubChem (CID 107932981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).