8-[(2,2-difluorocyclopropyl)methyl]-3,8-diazabicyclo[3.2.1]octane

C10H16F2N2 — CID 171740091

IUPAC8-[(2,2-difluorocyclopropyl)methyl]-3,8-diazabicyclo[3.2.1]octane
SMILESFC1(F)CC1CN1C2CCC1CNC2
InChIInChI=1S/C10H16F2N2/c11-10(12)3-7(10)6-14-8-1-2-9(14)5-13-4-8/h7-9,13H,1-6H2
InChIKeyFWCHDYXVRQLZQW-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.08
Rot. Bonds2

About 8-[(2,2-difluorocyclopropyl)methyl]-3,8-diazabicyclo[3.2.1]octane

8-[(2,2-difluorocyclopropyl)methyl]-3,8-diazabicyclo[3.2.1]octane (PubChem CID 171740091) has the molecular formula C10H16F2N2 and a molecular weight of 202.25 g/mol. Its IUPAC name is 8-[(2,2-difluorocyclopropyl)methyl]-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-[(2,2-difluorocyclopropyl)methyl]-3,8-diazabicyclo[3.2.1]octane
PubChem CID171740091
Molecular FormulaC10H16F2N2
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name8-[(2,2-difluorocyclopropyl)methyl]-3,8-diazabicyclo[3.2.1]octane
SMILESFC1(F)CC1CN1C2CCC1CNC2
InChIInChI=1S/C10H16F2N2/c11-10(12)3-7(10)6-14-8-1-2-9(14)5-13-4-8/h7-9,13H,1-6H2
InChIKeyFWCHDYXVRQLZQW-UHFFFAOYSA-N
XLogP1.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-[(2,2-difluorocyclopropyl)methyl]-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of 8-[(2,2-difluorocyclopropyl)methyl]-3,8-diazabicyclo[3.2.1]octane (CID 171740091) is 8-[(2,2-difluorocyclopropyl)methyl]-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 8-[(2,2-difluorocyclopropyl)methyl]-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for 8-[(2,2-difluorocyclopropyl)methyl]-3,8-diazabicyclo[3.2.1]octane is FC1(F)CC1CN1C2CCC1CNC2.
What is the InChIKey of 8-[(2,2-difluorocyclopropyl)methyl]-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is FWCHDYXVRQLZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2/c11-10(12)3-7(10)6-14-8-1-2-9(14)5-13-4-8/h7-9,13H,1-6H2.
What are the key properties of 8-[(2,2-difluorocyclopropyl)methyl]-3,8-diazabicyclo[3.2.1]octane?
8-[(2,2-difluorocyclopropyl)methyl]-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 202.25 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2,2-difluorocyclopropyl)methyl]-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 171740091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).