6-(fluoromethyl)-3-propan-2-yl-3-azabicyclo[4.1.0]heptane

C10H18FN — CID 170791420

IUPAC6-(fluoromethyl)-3-propan-2-yl-3-azabicyclo[4.1.0]heptane
SMILESCC(C)N1CCC2(CF)CC2C1
InChIInChI=1S/C10H18FN/c1-8(2)12-4-3-10(7-11)5-9(10)6-12/h8-9H,3-7H2,1-2H3
InChIKeyCSIGRZUJXMJLSG-UHFFFAOYSA-N
MW171.26 g/mol
LogP2.08
Rot. Bonds2

About 6-(fluoromethyl)-3-propan-2-yl-3-azabicyclo[4.1.0]heptane

6-(fluoromethyl)-3-propan-2-yl-3-azabicyclo[4.1.0]heptane (PubChem CID 170791420) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is 6-(fluoromethyl)-3-propan-2-yl-3-azabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name6-(fluoromethyl)-3-propan-2-yl-3-azabicyclo[4.1.0]heptane
PubChem CID170791420
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name6-(fluoromethyl)-3-propan-2-yl-3-azabicyclo[4.1.0]heptane
SMILESCC(C)N1CCC2(CF)CC2C1
InChIInChI=1S/C10H18FN/c1-8(2)12-4-3-10(7-11)5-9(10)6-12/h8-9H,3-7H2,1-2H3
InChIKeyCSIGRZUJXMJLSG-UHFFFAOYSA-N
XLogP2.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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 6-(fluoromethyl)-3-propan-2-yl-3-azabicyclo[4.1.0]heptane?
The IUPAC name of 6-(fluoromethyl)-3-propan-2-yl-3-azabicyclo[4.1.0]heptane (CID 170791420) is 6-(fluoromethyl)-3-propan-2-yl-3-azabicyclo[4.1.0]heptane.
What is the SMILES notation for 6-(fluoromethyl)-3-propan-2-yl-3-azabicyclo[4.1.0]heptane?
The canonical SMILES for 6-(fluoromethyl)-3-propan-2-yl-3-azabicyclo[4.1.0]heptane is CC(C)N1CCC2(CF)CC2C1.
What is the InChIKey of 6-(fluoromethyl)-3-propan-2-yl-3-azabicyclo[4.1.0]heptane?
The InChIKey is CSIGRZUJXMJLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN/c1-8(2)12-4-3-10(7-11)5-9(10)6-12/h8-9H,3-7H2,1-2H3.
What are the key properties of 6-(fluoromethyl)-3-propan-2-yl-3-azabicyclo[4.1.0]heptane?
6-(fluoromethyl)-3-propan-2-yl-3-azabicyclo[4.1.0]heptane has a molecular weight of 171.26 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(fluoromethyl)-3-propan-2-yl-3-azabicyclo[4.1.0]heptane is sourced from PubChem (CID 170791420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).