3-[(3,3-difluorocyclohexyl)methoxy]-8-azabicyclo[3.2.1]octane

C14H23F2NO — CID 114224280

IUPAC3-[(3,3-difluorocyclohexyl)methoxy]-8-azabicyclo[3.2.1]octane
SMILESFC1(F)CCCC(COC2CC3CCC(C2)N3)C1
InChIInChI=1S/C14H23F2NO/c15-14(16)5-1-2-10(8-14)9-18-13-6-11-3-4-12(7-13)17-11/h10-13,17H,1-9H2
InChIKeyPPHXSBYZWJCALP-UHFFFAOYSA-N
MW259.34 g/mol
LogP3.11
Rot. Bonds3

About 3-[(3,3-difluorocyclohexyl)methoxy]-8-azabicyclo[3.2.1]octane

3-[(3,3-difluorocyclohexyl)methoxy]-8-azabicyclo[3.2.1]octane (PubChem CID 114224280) has the molecular formula C14H23F2NO and a molecular weight of 259.34 g/mol. Its IUPAC name is 3-[(3,3-difluorocyclohexyl)methoxy]-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-[(3,3-difluorocyclohexyl)methoxy]-8-azabicyclo[3.2.1]octane
PubChem CID114224280
Molecular FormulaC14H23F2NO
Molecular Weight259.34 g/mol
Exact Mass259.17
IUPAC Name3-[(3,3-difluorocyclohexyl)methoxy]-8-azabicyclo[3.2.1]octane
SMILESFC1(F)CCCC(COC2CC3CCC(C2)N3)C1
InChIInChI=1S/C14H23F2NO/c15-14(16)5-1-2-10(8-14)9-18-13-6-11-3-4-12(7-13)17-11/h10-13,17H,1-9H2
InChIKeyPPHXSBYZWJCALP-UHFFFAOYSA-N
XLogP3.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.34
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,3-difluorocyclohexyl)methoxy]-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-[(3,3-difluorocyclohexyl)methoxy]-8-azabicyclo[3.2.1]octane (CID 114224280) is 3-[(3,3-difluorocyclohexyl)methoxy]-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-[(3,3-difluorocyclohexyl)methoxy]-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-[(3,3-difluorocyclohexyl)methoxy]-8-azabicyclo[3.2.1]octane is FC1(F)CCCC(COC2CC3CCC(C2)N3)C1.
What is the InChIKey of 3-[(3,3-difluorocyclohexyl)methoxy]-8-azabicyclo[3.2.1]octane?
The InChIKey is PPHXSBYZWJCALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F2NO/c15-14(16)5-1-2-10(8-14)9-18-13-6-11-3-4-12(7-13)17-11/h10-13,17H,1-9H2.
What are the key properties of 3-[(3,3-difluorocyclohexyl)methoxy]-8-azabicyclo[3.2.1]octane?
3-[(3,3-difluorocyclohexyl)methoxy]-8-azabicyclo[3.2.1]octane has a molecular weight of 259.34 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,3-difluorocyclohexyl)methoxy]-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 114224280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).