1-fluoro-3-methyl-6-propan-2-yl-3-azabicyclo[4.1.0]heptane

C10H18FN — CID 178124743

IUPAC1-fluoro-3-methyl-6-propan-2-yl-3-azabicyclo[4.1.0]heptane
SMILESCC(C)C12CCN(C)CC1(F)C2
InChIInChI=1S/C10H18FN/c1-8(2)9-4-5-12(3)7-10(9,11)6-9/h8H,4-7H2,1-3H3
InChIKeyZSXKXFSORZKNFJ-UHFFFAOYSA-N
MW171.26 g/mol
LogP2.08
Rot. Bonds1

About 1-fluoro-3-methyl-6-propan-2-yl-3-azabicyclo[4.1.0]heptane

1-fluoro-3-methyl-6-propan-2-yl-3-azabicyclo[4.1.0]heptane (PubChem CID 178124743) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is 1-fluoro-3-methyl-6-propan-2-yl-3-azabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name1-fluoro-3-methyl-6-propan-2-yl-3-azabicyclo[4.1.0]heptane
PubChem CID178124743
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name1-fluoro-3-methyl-6-propan-2-yl-3-azabicyclo[4.1.0]heptane
SMILESCC(C)C12CCN(C)CC1(F)C2
InChIInChI=1S/C10H18FN/c1-8(2)9-4-5-12(3)7-10(9,11)6-9/h8H,4-7H2,1-3H3
InChIKeyZSXKXFSORZKNFJ-UHFFFAOYSA-N
XLogP2.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-methyl-6-propan-2-yl-3-azabicyclo[4.1.0]heptane?
The IUPAC name of 1-fluoro-3-methyl-6-propan-2-yl-3-azabicyclo[4.1.0]heptane (CID 178124743) is 1-fluoro-3-methyl-6-propan-2-yl-3-azabicyclo[4.1.0]heptane.
What is the SMILES notation for 1-fluoro-3-methyl-6-propan-2-yl-3-azabicyclo[4.1.0]heptane?
The canonical SMILES for 1-fluoro-3-methyl-6-propan-2-yl-3-azabicyclo[4.1.0]heptane is CC(C)C12CCN(C)CC1(F)C2.
What is the InChIKey of 1-fluoro-3-methyl-6-propan-2-yl-3-azabicyclo[4.1.0]heptane?
The InChIKey is ZSXKXFSORZKNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN/c1-8(2)9-4-5-12(3)7-10(9,11)6-9/h8H,4-7H2,1-3H3.
What are the key properties of 1-fluoro-3-methyl-6-propan-2-yl-3-azabicyclo[4.1.0]heptane?
1-fluoro-3-methyl-6-propan-2-yl-3-azabicyclo[4.1.0]heptane has a molecular weight of 171.26 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-methyl-6-propan-2-yl-3-azabicyclo[4.1.0]heptane is sourced from PubChem (CID 178124743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).