5-(4,4-difluorocyclohexyl)-2-(difluoromethoxymethyl)piperidine

C13H21F4NO — CID 146295330

IUPAC5-(4,4-difluorocyclohexyl)-2-(difluoromethoxymethyl)piperidine
SMILESFC(F)OCC1CCC(C2CCC(F)(F)CC2)CN1
InChIInChI=1S/C13H21F4NO/c14-12(15)19-8-11-2-1-10(7-18-11)9-3-5-13(16,17)6-4-9/h9-12,18H,1-8H2
InChIKeyNVAMIEVEHOHEDV-UHFFFAOYSA-N
MW283.31 g/mol
LogP3.42
Rot. Bonds4

About 5-(4,4-difluorocyclohexyl)-2-(difluoromethoxymethyl)piperidine

5-(4,4-difluorocyclohexyl)-2-(difluoromethoxymethyl)piperidine (PubChem CID 146295330) has the molecular formula C13H21F4NO and a molecular weight of 283.31 g/mol. Its IUPAC name is 5-(4,4-difluorocyclohexyl)-2-(difluoromethoxymethyl)piperidine.

Molecular Properties

Compound Name5-(4,4-difluorocyclohexyl)-2-(difluoromethoxymethyl)piperidine
PubChem CID146295330
Molecular FormulaC13H21F4NO
Molecular Weight283.31 g/mol
Exact Mass283.16
IUPAC Name5-(4,4-difluorocyclohexyl)-2-(difluoromethoxymethyl)piperidine
SMILESFC(F)OCC1CCC(C2CCC(F)(F)CC2)CN1
InChIInChI=1S/C13H21F4NO/c14-12(15)19-8-11-2-1-10(7-18-11)9-3-5-13(16,17)6-4-9/h9-12,18H,1-8H2
InChIKeyNVAMIEVEHOHEDV-UHFFFAOYSA-N
XLogP3.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4,4-difluorocyclohexyl)-2-(difluoromethoxymethyl)piperidine?
The IUPAC name of 5-(4,4-difluorocyclohexyl)-2-(difluoromethoxymethyl)piperidine (CID 146295330) is 5-(4,4-difluorocyclohexyl)-2-(difluoromethoxymethyl)piperidine.
What is the SMILES notation for 5-(4,4-difluorocyclohexyl)-2-(difluoromethoxymethyl)piperidine?
The canonical SMILES for 5-(4,4-difluorocyclohexyl)-2-(difluoromethoxymethyl)piperidine is FC(F)OCC1CCC(C2CCC(F)(F)CC2)CN1.
What is the InChIKey of 5-(4,4-difluorocyclohexyl)-2-(difluoromethoxymethyl)piperidine?
The InChIKey is NVAMIEVEHOHEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F4NO/c14-12(15)19-8-11-2-1-10(7-18-11)9-3-5-13(16,17)6-4-9/h9-12,18H,1-8H2.
What are the key properties of 5-(4,4-difluorocyclohexyl)-2-(difluoromethoxymethyl)piperidine?
5-(4,4-difluorocyclohexyl)-2-(difluoromethoxymethyl)piperidine has a molecular weight of 283.31 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-difluorocyclohexyl)-2-(difluoromethoxymethyl)piperidine is sourced from PubChem (CID 146295330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).