(1R,6R)-7,7-difluoro-6-methyl-3-azabicyclo[4.1.0]heptane

C7H11F2N — CID 124709613

IUPAC(1R,6R)-7,7-difluoro-6-methyl-3-azabicyclo[4.1.0]heptane
SMILESC[C@@]12CCNC[C@@H]1C2(F)F
InChIInChI=1S/C7H11F2N/c1-6-2-3-10-4-5(6)7(6,8)9/h5,10H,2-4H2,1H3/t5-,6+/m0/s1
InChIKeyMRRJNXMDOXBSNV-NTSWFWBYSA-N
MW147.17 g/mol
LogP1.25
Rot. Bonds

About (1R,6R)-7,7-difluoro-6-methyl-3-azabicyclo[4.1.0]heptane

(1R,6R)-7,7-difluoro-6-methyl-3-azabicyclo[4.1.0]heptane (PubChem CID 124709613) has the molecular formula C7H11F2N and a molecular weight of 147.17 g/mol. Its IUPAC name is (1R,6R)-7,7-difluoro-6-methyl-3-azabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name(1R,6R)-7,7-difluoro-6-methyl-3-azabicyclo[4.1.0]heptane
PubChem CID124709613
Molecular FormulaC7H11F2N
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name(1R,6R)-7,7-difluoro-6-methyl-3-azabicyclo[4.1.0]heptane
SMILESC[C@@]12CCNC[C@@H]1C2(F)F
InChIInChI=1S/C7H11F2N/c1-6-2-3-10-4-5(6)7(6,8)9/h5,10H,2-4H2,1H3/t5-,6+/m0/s1
InChIKeyMRRJNXMDOXBSNV-NTSWFWBYSA-N
XLogP1.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,6R)-7,7-difluoro-6-methyl-3-azabicyclo[4.1.0]heptane?
The IUPAC name of (1R,6R)-7,7-difluoro-6-methyl-3-azabicyclo[4.1.0]heptane (CID 124709613) is (1R,6R)-7,7-difluoro-6-methyl-3-azabicyclo[4.1.0]heptane.
What is the SMILES notation for (1R,6R)-7,7-difluoro-6-methyl-3-azabicyclo[4.1.0]heptane?
The canonical SMILES for (1R,6R)-7,7-difluoro-6-methyl-3-azabicyclo[4.1.0]heptane is C[C@@]12CCNC[C@@H]1C2(F)F.
What is the InChIKey of (1R,6R)-7,7-difluoro-6-methyl-3-azabicyclo[4.1.0]heptane?
The InChIKey is MRRJNXMDOXBSNV-NTSWFWBYSA-N. The full InChI is InChI=1S/C7H11F2N/c1-6-2-3-10-4-5(6)7(6,8)9/h5,10H,2-4H2,1H3/t5-,6+/m0/s1.
What are the key properties of (1R,6R)-7,7-difluoro-6-methyl-3-azabicyclo[4.1.0]heptane?
(1R,6R)-7,7-difluoro-6-methyl-3-azabicyclo[4.1.0]heptane has a molecular weight of 147.17 g/mol, XLogP of 1.25, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R)-7,7-difluoro-6-methyl-3-azabicyclo[4.1.0]heptane is sourced from PubChem (CID 124709613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).