2-[4-(difluoromethyl)-3,5-difluorocyclohexyl]-5-methylpiperidine

C13H21F4N — CID 67890023

IUPAC2-[4-(difluoromethyl)-3,5-difluorocyclohexyl]-5-methylpiperidine
SMILESCC1CCC(C2CC(F)C(C(F)F)C(F)C2)NC1
InChIInChI=1S/C13H21F4N/c1-7-2-3-11(18-6-7)8-4-9(14)12(13(16)17)10(15)5-8/h7-13,18H,2-6H2,1H3
InChIKeyUNEAJKXOFRYSAD-UHFFFAOYSA-N
MW267.31 g/mol
LogP3.34
Rot. Bonds2

About 2-[4-(difluoromethyl)-3,5-difluorocyclohexyl]-5-methylpiperidine

2-[4-(difluoromethyl)-3,5-difluorocyclohexyl]-5-methylpiperidine (PubChem CID 67890023) has the molecular formula C13H21F4N and a molecular weight of 267.31 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)-3,5-difluorocyclohexyl]-5-methylpiperidine.

Molecular Properties

Compound Name2-[4-(difluoromethyl)-3,5-difluorocyclohexyl]-5-methylpiperidine
PubChem CID67890023
Molecular FormulaC13H21F4N
Molecular Weight267.31 g/mol
Exact Mass267.16
IUPAC Name2-[4-(difluoromethyl)-3,5-difluorocyclohexyl]-5-methylpiperidine
SMILESCC1CCC(C2CC(F)C(C(F)F)C(F)C2)NC1
InChIInChI=1S/C13H21F4N/c1-7-2-3-11(18-6-7)8-4-9(14)12(13(16)17)10(15)5-8/h7-13,18H,2-6H2,1H3
InChIKeyUNEAJKXOFRYSAD-UHFFFAOYSA-N
XLogP3.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)-3,5-difluorocyclohexyl]-5-methylpiperidine?
The IUPAC name of 2-[4-(difluoromethyl)-3,5-difluorocyclohexyl]-5-methylpiperidine (CID 67890023) is 2-[4-(difluoromethyl)-3,5-difluorocyclohexyl]-5-methylpiperidine.
What is the SMILES notation for 2-[4-(difluoromethyl)-3,5-difluorocyclohexyl]-5-methylpiperidine?
The canonical SMILES for 2-[4-(difluoromethyl)-3,5-difluorocyclohexyl]-5-methylpiperidine is CC1CCC(C2CC(F)C(C(F)F)C(F)C2)NC1.
What is the InChIKey of 2-[4-(difluoromethyl)-3,5-difluorocyclohexyl]-5-methylpiperidine?
The InChIKey is UNEAJKXOFRYSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F4N/c1-7-2-3-11(18-6-7)8-4-9(14)12(13(16)17)10(15)5-8/h7-13,18H,2-6H2,1H3.
What are the key properties of 2-[4-(difluoromethyl)-3,5-difluorocyclohexyl]-5-methylpiperidine?
2-[4-(difluoromethyl)-3,5-difluorocyclohexyl]-5-methylpiperidine has a molecular weight of 267.31 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)-3,5-difluorocyclohexyl]-5-methylpiperidine is sourced from PubChem (CID 67890023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).