(1R,5S)-6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane

C6H8F3N — CID 39872416

IUPAC(1R,5S)-6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane
SMILESFC(F)(F)C1[C@H]2CNC[C@@H]12
InChIInChI=1S/C6H8F3N/c7-6(8,9)5-3-1-10-2-4(3)5/h3-5,10H,1-2H2/t3-,4+,5?
InChIKeyAFJGFMLXPMHAHR-NGQZWQHPSA-N
MW151.13 g/mol
LogP1.01
Rot. Bonds

About (1R,5S)-6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane

(1R,5S)-6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane (PubChem CID 39872416) has the molecular formula C6H8F3N and a molecular weight of 151.13 g/mol. Its IUPAC name is (1R,5S)-6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1R,5S)-6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane
PubChem CID39872416
Molecular FormulaC6H8F3N
Molecular Weight151.13 g/mol
Exact Mass151.06
IUPAC Name(1R,5S)-6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane
SMILESFC(F)(F)C1[C@H]2CNC[C@@H]12
InChIInChI=1S/C6H8F3N/c7-6(8,9)5-3-1-10-2-4(3)5/h3-5,10H,1-2H2/t3-,4+,5?
InChIKeyAFJGFMLXPMHAHR-NGQZWQHPSA-N
XLogP1.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.13
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3R,4R)-4-(trifluoromethyl)pyrrolidin-3-ol
CID 178200621
2-(3-azabicyclo[3.1.0]hexan-6-yl)propan-2-ylcarbamic acid
CID 154998463
(3R,5S)-5-(trifluoromethyl)piperidin-3-ol;hydrochloride
CID 163339172
2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole-4,7-diol
CID 176808820
N-(1,1,1-trifluoro-2-methylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 167524503
1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]propan-1-one;2,2,2-trifluoroacetic acid
CID 137360417
pyrrolidine-3,4-diol;2,2,2-trifluoroacetic acid
CID 175175789
6-iodo-3-azabicyclo[3.1.0]hexane
CID 130360842
[(6R)-6-(trifluoromethyl)morpholin-2-yl]methanol
CID 139358124
(1R,5S)-7-methyl-3-azabicyclo[3.1.1]heptan-6-amine
CID 131858389
(3S,4S)-3-(fluoromethyl)-4-(trifluoromethyl)pyrrolidine;hydrochloride
CID 131637999
4-(trifluoromethyl)piperidin-3-ol
CID 82597852

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane?
The IUPAC name of (1R,5S)-6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane (CID 39872416) is (1R,5S)-6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for (1R,5S)-6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for (1R,5S)-6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane is FC(F)(F)C1[C@H]2CNC[C@@H]12.
What is the InChIKey of (1R,5S)-6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane?
The InChIKey is AFJGFMLXPMHAHR-NGQZWQHPSA-N. The full InChI is InChI=1S/C6H8F3N/c7-6(8,9)5-3-1-10-2-4(3)5/h3-5,10H,1-2H2/t3-,4+,5?.
What are the key properties of (1R,5S)-6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane?
(1R,5S)-6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane has a molecular weight of 151.13 g/mol, XLogP of 1.01, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 39872416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).