4-fluoro-4-methyl-6-propan-2-yl-3-oxa-6-azabicyclo[3.2.1]octane

C10H18FNO — CID 176594302

IUPAC4-fluoro-4-methyl-6-propan-2-yl-3-oxa-6-azabicyclo[3.2.1]octane
SMILESCC(C)N1CC2COC(C)(F)C1C2
InChIInChI=1S/C10H18FNO/c1-7(2)12-5-8-4-9(12)10(3,11)13-6-8/h7-9H,4-6H2,1-3H3
InChIKeyVHBVQNQYSXGBRX-UHFFFAOYSA-N
MW187.26 g/mol
LogP1.80
Rot. Bonds1

About 4-fluoro-4-methyl-6-propan-2-yl-3-oxa-6-azabicyclo[3.2.1]octane

4-fluoro-4-methyl-6-propan-2-yl-3-oxa-6-azabicyclo[3.2.1]octane (PubChem CID 176594302) has the molecular formula C10H18FNO and a molecular weight of 187.26 g/mol. Its IUPAC name is 4-fluoro-4-methyl-6-propan-2-yl-3-oxa-6-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name4-fluoro-4-methyl-6-propan-2-yl-3-oxa-6-azabicyclo[3.2.1]octane
PubChem CID176594302
Molecular FormulaC10H18FNO
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC Name4-fluoro-4-methyl-6-propan-2-yl-3-oxa-6-azabicyclo[3.2.1]octane
SMILESCC(C)N1CC2COC(C)(F)C1C2
InChIInChI=1S/C10H18FNO/c1-7(2)12-5-8-4-9(12)10(3,11)13-6-8/h7-9H,4-6H2,1-3H3
InChIKeyVHBVQNQYSXGBRX-UHFFFAOYSA-N
XLogP1.80
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-methyl-6-propan-2-yl-3-oxa-6-azabicyclo[3.2.1]octane?
The IUPAC name of 4-fluoro-4-methyl-6-propan-2-yl-3-oxa-6-azabicyclo[3.2.1]octane (CID 176594302) is 4-fluoro-4-methyl-6-propan-2-yl-3-oxa-6-azabicyclo[3.2.1]octane.
What is the SMILES notation for 4-fluoro-4-methyl-6-propan-2-yl-3-oxa-6-azabicyclo[3.2.1]octane?
The canonical SMILES for 4-fluoro-4-methyl-6-propan-2-yl-3-oxa-6-azabicyclo[3.2.1]octane is CC(C)N1CC2COC(C)(F)C1C2.
What is the InChIKey of 4-fluoro-4-methyl-6-propan-2-yl-3-oxa-6-azabicyclo[3.2.1]octane?
The InChIKey is VHBVQNQYSXGBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO/c1-7(2)12-5-8-4-9(12)10(3,11)13-6-8/h7-9H,4-6H2,1-3H3.
What are the key properties of 4-fluoro-4-methyl-6-propan-2-yl-3-oxa-6-azabicyclo[3.2.1]octane?
4-fluoro-4-methyl-6-propan-2-yl-3-oxa-6-azabicyclo[3.2.1]octane has a molecular weight of 187.26 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-methyl-6-propan-2-yl-3-oxa-6-azabicyclo[3.2.1]octane is sourced from PubChem (CID 176594302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).