(1S,5R)-6,6-difluoro-3-methyl-3-azabicyclo[3.2.0]heptan-1-amine

C7H12F2N2 — CID 69172528

IUPAC(1S,5R)-6,6-difluoro-3-methyl-3-azabicyclo[3.2.0]heptan-1-amine
SMILESCN1C[C@H]2C(F)(F)C[C@@]2(N)C1
InChIInChI=1S/C7H12F2N2/c1-11-2-5-6(10,4-11)3-7(5,8)9/h5H,2-4,10H2,1H3/t5-,6-/m1/s1
InChIKeyIQVOWPGRCWILFK-PHDIDXHHSA-N
MW162.18 g/mol
LogP0.28
Rot. Bonds

About (1S,5R)-6,6-difluoro-3-methyl-3-azabicyclo[3.2.0]heptan-1-amine

(1S,5R)-6,6-difluoro-3-methyl-3-azabicyclo[3.2.0]heptan-1-amine (PubChem CID 69172528) has the molecular formula C7H12F2N2 and a molecular weight of 162.18 g/mol. Its IUPAC name is (1S,5R)-6,6-difluoro-3-methyl-3-azabicyclo[3.2.0]heptan-1-amine.

Molecular Properties

Compound Name(1S,5R)-6,6-difluoro-3-methyl-3-azabicyclo[3.2.0]heptan-1-amine
PubChem CID69172528
Molecular FormulaC7H12F2N2
Molecular Weight162.18 g/mol
Exact Mass162.10
IUPAC Name(1S,5R)-6,6-difluoro-3-methyl-3-azabicyclo[3.2.0]heptan-1-amine
SMILESCN1C[C@H]2C(F)(F)C[C@@]2(N)C1
InChIInChI=1S/C7H12F2N2/c1-11-2-5-6(10,4-11)3-7(5,8)9/h5H,2-4,10H2,1H3/t5-,6-/m1/s1
InChIKeyIQVOWPGRCWILFK-PHDIDXHHSA-N
XLogP0.28
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,5R,7S)-7-(fluoromethyl)-3-methyl-3-azabicyclo[3.2.0]heptan-1-amine
CID 69172507
(1S,5R,6S)-6-(fluoromethyl)-3-methyl-3-azabicyclo[3.2.0]heptan-1-amine
CID 69172512
(1S,5R,6S)-6-fluoro-3-methyl-3-azabicyclo[3.2.0]heptan-1-amine
CID 69172525
(1S,5R,6R)-6-fluoro-3-methyl-3-azabicyclo[3.2.0]heptan-1-amine
CID 69172530
(1S,5R,6R)-6-(fluoromethyl)-3-methyl-3-azabicyclo[3.2.0]heptan-1-amine
CID 69172533
(1R,5S)-5-fluoro-3-methyl-3-azabicyclo[3.2.0]heptan-1-amine
CID 69172534
(1S,5R,6S)-6-(fluoromethyl)-3-azabicyclo[3.2.0]heptan-1-amine
CID 89257349
(1S,5R,6R)-6-(fluoromethyl)-3-azabicyclo[3.2.0]heptan-1-amine
CID 90985743
(1S,5S,6R)-6-fluoro-3-azabicyclo[3.2.0]heptan-1-amine
CID 91483246
(1S,5S)-6,6-difluoro-3-azabicyclo[3.2.0]heptan-1-amine
CID 123351009
(1R,5S)-5-fluoro-3-azabicyclo[3.2.0]heptan-1-amine
CID 123527348
(1S,5S,6S)-6-fluoro-3-azabicyclo[3.2.0]heptan-1-amine
CID 123850624

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-6,6-difluoro-3-methyl-3-azabicyclo[3.2.0]heptan-1-amine?
The IUPAC name of (1S,5R)-6,6-difluoro-3-methyl-3-azabicyclo[3.2.0]heptan-1-amine (CID 69172528) is (1S,5R)-6,6-difluoro-3-methyl-3-azabicyclo[3.2.0]heptan-1-amine.
What is the SMILES notation for (1S,5R)-6,6-difluoro-3-methyl-3-azabicyclo[3.2.0]heptan-1-amine?
The canonical SMILES for (1S,5R)-6,6-difluoro-3-methyl-3-azabicyclo[3.2.0]heptan-1-amine is CN1C[C@H]2C(F)(F)C[C@@]2(N)C1.
What is the InChIKey of (1S,5R)-6,6-difluoro-3-methyl-3-azabicyclo[3.2.0]heptan-1-amine?
The InChIKey is IQVOWPGRCWILFK-PHDIDXHHSA-N. The full InChI is InChI=1S/C7H12F2N2/c1-11-2-5-6(10,4-11)3-7(5,8)9/h5H,2-4,10H2,1H3/t5-,6-/m1/s1.
What are the key properties of (1S,5R)-6,6-difluoro-3-methyl-3-azabicyclo[3.2.0]heptan-1-amine?
(1S,5R)-6,6-difluoro-3-methyl-3-azabicyclo[3.2.0]heptan-1-amine has a molecular weight of 162.18 g/mol, XLogP of 0.28, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-6,6-difluoro-3-methyl-3-azabicyclo[3.2.0]heptan-1-amine is sourced from PubChem (CID 69172528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).