N-(3,3-difluorocyclobutyl)-N-[2-(2,5-difluorophenyl)piperidin-4-yl]-2,2,2-trifluoroacetamide

C17H17F7N2O — CID 165142001

IUPACN-(3,3-difluorocyclobutyl)-N-[2-(2,5-difluorophenyl)piperidin-4-yl]-2,2,2-trifluoroacetamide
SMILESO=C(N(C1CCNC(c2cc(F)ccc2F)C1)C1CC(F)(F)C1)C(F)(F)F
InChIInChI=1S/C17H17F7N2O/c18-9-1-2-13(19)12(5-9)14-6-10(3-4-25-14)26(15(27)17(22,23)24)11-7-16(20,21)8-11/h1-2,5,10-11,14,25H,3-4,6-8H2
InChIKeyDDNGTDMRNMFPJW-UHFFFAOYSA-N
MW398.32 g/mol
LogP3.95
Rot. Bonds3

About N-(3,3-difluorocyclobutyl)-N-[2-(2,5-difluorophenyl)piperidin-4-yl]-2,2,2-trifluoroacetamide

N-(3,3-difluorocyclobutyl)-N-[2-(2,5-difluorophenyl)piperidin-4-yl]-2,2,2-trifluoroacetamide (PubChem CID 165142001) has the molecular formula C17H17F7N2O and a molecular weight of 398.32 g/mol. Its IUPAC name is N-(3,3-difluorocyclobutyl)-N-[2-(2,5-difluorophenyl)piperidin-4-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(3,3-difluorocyclobutyl)-N-[2-(2,5-difluorophenyl)piperidin-4-yl]-2,2,2-trifluoroacetamide
PubChem CID165142001
Molecular FormulaC17H17F7N2O
Molecular Weight398.32 g/mol
Exact Mass398.12
IUPAC NameN-(3,3-difluorocyclobutyl)-N-[2-(2,5-difluorophenyl)piperidin-4-yl]-2,2,2-trifluoroacetamide
SMILESO=C(N(C1CCNC(c2cc(F)ccc2F)C1)C1CC(F)(F)C1)C(F)(F)F
InChIInChI=1S/C17H17F7N2O/c18-9-1-2-13(19)12(5-9)14-6-10(3-4-25-14)26(15(27)17(22,23)24)11-7-16(20,21)8-11/h1-2,5,10-11,14,25H,3-4,6-8H2
InChIKeyDDNGTDMRNMFPJW-UHFFFAOYSA-N
XLogP3.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.32
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluorocyclobutyl)-N-[2-(2,5-difluorophenyl)piperidin-4-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-(3,3-difluorocyclobutyl)-N-[2-(2,5-difluorophenyl)piperidin-4-yl]-2,2,2-trifluoroacetamide (CID 165142001) is N-(3,3-difluorocyclobutyl)-N-[2-(2,5-difluorophenyl)piperidin-4-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(3,3-difluorocyclobutyl)-N-[2-(2,5-difluorophenyl)piperidin-4-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(3,3-difluorocyclobutyl)-N-[2-(2,5-difluorophenyl)piperidin-4-yl]-2,2,2-trifluoroacetamide is O=C(N(C1CCNC(c2cc(F)ccc2F)C1)C1CC(F)(F)C1)C(F)(F)F.
What is the InChIKey of N-(3,3-difluorocyclobutyl)-N-[2-(2,5-difluorophenyl)piperidin-4-yl]-2,2,2-trifluoroacetamide?
The InChIKey is DDNGTDMRNMFPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F7N2O/c18-9-1-2-13(19)12(5-9)14-6-10(3-4-25-14)26(15(27)17(22,23)24)11-7-16(20,21)8-11/h1-2,5,10-11,14,25H,3-4,6-8H2.
What are the key properties of N-(3,3-difluorocyclobutyl)-N-[2-(2,5-difluorophenyl)piperidin-4-yl]-2,2,2-trifluoroacetamide?
N-(3,3-difluorocyclobutyl)-N-[2-(2,5-difluorophenyl)piperidin-4-yl]-2,2,2-trifluoroacetamide has a molecular weight of 398.32 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluorocyclobutyl)-N-[2-(2,5-difluorophenyl)piperidin-4-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 165142001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).