3-fluoro-6-propan-2-yl-1-azatricyclo[4.3.0.02,4]nonane

C11H18FN — CID 176800760

IUPAC3-fluoro-6-propan-2-yl-1-azatricyclo[4.3.0.02,4]nonane
SMILESCC(C)C12CCCN1C1C(F)C1C2
InChIInChI=1S/C11H18FN/c1-7(2)11-4-3-5-13(11)10-8(6-11)9(10)12/h7-10H,3-6H2,1-2H3
InChIKeyDXNWEDQVZPZIRQ-UHFFFAOYSA-N
MW183.27 g/mol
LogP2.22
Rot. Bonds1

About 3-fluoro-6-propan-2-yl-1-azatricyclo[4.3.0.02,4]nonane

3-fluoro-6-propan-2-yl-1-azatricyclo[4.3.0.02,4]nonane (PubChem CID 176800760) has the molecular formula C11H18FN and a molecular weight of 183.27 g/mol. Its IUPAC name is 3-fluoro-6-propan-2-yl-1-azatricyclo[4.3.0.02,4]nonane.

Molecular Properties

Compound Name3-fluoro-6-propan-2-yl-1-azatricyclo[4.3.0.02,4]nonane
PubChem CID176800760
Molecular FormulaC11H18FN
Molecular Weight183.27 g/mol
Exact Mass183.14
IUPAC Name3-fluoro-6-propan-2-yl-1-azatricyclo[4.3.0.02,4]nonane
SMILESCC(C)C12CCCN1C1C(F)C1C2
InChIInChI=1S/C11H18FN/c1-7(2)11-4-3-5-13(11)10-8(6-11)9(10)12/h7-10H,3-6H2,1-2H3
InChIKeyDXNWEDQVZPZIRQ-UHFFFAOYSA-N
XLogP2.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2'-fluoro-8-propan-2-ylspiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,1'-cyclopropane]
CID 170421918
3-fluoro-5-propan-2-yl-1-azabicyclo[3.2.0]heptane
CID 170421734
2-methoxy-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine
CID 170689578
2-fluoro-8-(1-methoxyethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 170771511
2-methoxy-N-methyl-N-[(8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizin-3-yl)methyl]ethanamine
CID 170602039
(2R,8S)-8-(1-ethoxyethyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine;methane
CID 177009819
(6E)-6-(fluoromethylidene)-8-propan-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 163614751
1-(1-propan-2-ylcyclopentyl)piperazine
CID 83818772
8-tert-butyl-2-fluoro-3-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 176800719
7a-methyl-3-propan-2-yl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole
CID 71436217
6-propan-2-yl-10-oxa-2-azatricyclo[5.2.1.02,6]decane
CID 176800871
8-propan-2-yl-3-[2-[5-(trifluoromethyl)pyrazin-2-yl]ethyl]-1,2,3,5,6,7-hexahydropyrrolizine
CID 176954834

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-6-propan-2-yl-1-azatricyclo[4.3.0.02,4]nonane?
The IUPAC name of 3-fluoro-6-propan-2-yl-1-azatricyclo[4.3.0.02,4]nonane (CID 176800760) is 3-fluoro-6-propan-2-yl-1-azatricyclo[4.3.0.02,4]nonane.
What is the SMILES notation for 3-fluoro-6-propan-2-yl-1-azatricyclo[4.3.0.02,4]nonane?
The canonical SMILES for 3-fluoro-6-propan-2-yl-1-azatricyclo[4.3.0.02,4]nonane is CC(C)C12CCCN1C1C(F)C1C2.
What is the InChIKey of 3-fluoro-6-propan-2-yl-1-azatricyclo[4.3.0.02,4]nonane?
The InChIKey is DXNWEDQVZPZIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN/c1-7(2)11-4-3-5-13(11)10-8(6-11)9(10)12/h7-10H,3-6H2,1-2H3.
What are the key properties of 3-fluoro-6-propan-2-yl-1-azatricyclo[4.3.0.02,4]nonane?
3-fluoro-6-propan-2-yl-1-azatricyclo[4.3.0.02,4]nonane has a molecular weight of 183.27 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-6-propan-2-yl-1-azatricyclo[4.3.0.02,4]nonane is sourced from PubChem (CID 176800760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).