3-fluoro-3-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octane

C12H16FNO — CID 112564732

IUPAC3-fluoro-3-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octane
SMILESFC1(Cc2ccco2)CC2CCC(C1)N2
InChIInChI=1S/C12H16FNO/c13-12(8-11-2-1-5-15-11)6-9-3-4-10(7-12)14-9/h1-2,5,9-10,14H,3-4,6-8H2
InChIKeyNTTUUMKTDUTFRN-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.44
Rot. Bonds2

About 3-fluoro-3-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octane

3-fluoro-3-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octane (PubChem CID 112564732) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 3-fluoro-3-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-fluoro-3-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octane
PubChem CID112564732
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name3-fluoro-3-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octane
SMILESFC1(Cc2ccco2)CC2CCC(C1)N2
InChIInChI=1S/C12H16FNO/c13-12(8-11-2-1-5-15-11)6-9-3-4-10(7-12)14-9/h1-2,5,9-10,14H,3-4,6-8H2
InChIKeyNTTUUMKTDUTFRN-UHFFFAOYSA-N
XLogP2.44
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-bromophenyl)methyl]-3-fluoro-8-azabicyclo[3.2.1]octane
CID 112564535
3-(furan-2-ylmethylsulfonyl)-8-azabicyclo[3.2.1]octane
CID 134086012
3-(2,6-difluorophenyl)-3-fluoro-8-azabicyclo[3.2.1]octane
CID 112564653
[2-(furan-2-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methanamine
CID 62998871
[2-(furan-2-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methanol
CID 66024942
3-ethyl-1-(furan-2-ylmethyl)cyclopentan-1-amine
CID 65422690
5-(2,2-difluorocyclopropyl)-N-(furan-2-ylmethyl)-1H-1,2,4-triazol-3-amine
CID 167819666
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(furan-2-ylmethyl)acetamide
CID 79607925
N-[[1-(furan-2-ylmethyl)cyclopropyl]methyl]cyclopropanamine
CID 66024468
2-(furan-2-ylmethyl)-2-methylcyclopropane-1-carboxylic acid
CID 63086194
2-(cyclobutylmethyl)furan
CID 139469251
2-[[1-(chloromethyl)cyclopropyl]methyl]furan
CID 66033762

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-fluoro-3-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octane (CID 112564732) is 3-fluoro-3-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-fluoro-3-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-fluoro-3-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octane is FC1(Cc2ccco2)CC2CCC(C1)N2.
What is the InChIKey of 3-fluoro-3-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octane?
The InChIKey is NTTUUMKTDUTFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c13-12(8-11-2-1-5-15-11)6-9-3-4-10(7-12)14-9/h1-2,5,9-10,14H,3-4,6-8H2.
What are the key properties of 3-fluoro-3-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octane?
3-fluoro-3-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octane has a molecular weight of 209.26 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 112564732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).