cyclohexylmethyl-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]azanide

C16H26F3N2- — CID 154495144

IUPACcyclohexylmethyl-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]azanide
SMILESFC(F)(F)CCN1CC2C(C[N-]CC3CCCCC3)C2C1
InChIInChI=1S/C16H26F3N2/c17-16(18,19)6-7-21-10-14-13(15(14)11-21)9-20-8-12-4-2-1-3-5-12/h12-15H,1-11H2/q-1
InChIKeyDYKSUZFCJVYWFN-UHFFFAOYSA-N
MW303.39 g/mol
LogP4.07
Rot. Bonds6

About cyclohexylmethyl-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]azanide

cyclohexylmethyl-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]azanide (PubChem CID 154495144) has the molecular formula C16H26F3N2- and a molecular weight of 303.39 g/mol. Its IUPAC name is cyclohexylmethyl-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]azanide.

Molecular Properties

Compound Namecyclohexylmethyl-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]azanide
PubChem CID154495144
Molecular FormulaC16H26F3N2-
Molecular Weight303.39 g/mol
Exact Mass303.21
IUPAC Namecyclohexylmethyl-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]azanide
SMILESFC(F)(F)CCN1CC2C(C[N-]CC3CCCCC3)C2C1
InChIInChI=1S/C16H26F3N2/c17-16(18,19)6-7-21-10-14-13(15(14)11-21)9-20-8-12-4-2-1-3-5-12/h12-15H,1-11H2/q-1
InChIKeyDYKSUZFCJVYWFN-UHFFFAOYSA-N
XLogP4.07
TPSA17.34 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze cyclohexylmethyl-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]azanide with MolForge

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Related Compounds

3,3,3-trifluoropropylcyclooctane
CID 153173633
(3aS,4R,7aS)-4-[(4-methylpiperazin-1-yl)methyl]-2-(3,3,3-trifluoropropyl)-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 97409932
2-[1-(3,3,3-trifluoropropyl)azetidin-3-yl]acetonitrile
CID 84663814
3-methyl-1-(3,3,3-trifluoropropyl)piperidine
CID 77147847
[(3S)-1-(3,3,3-trifluoropropyl)piperidin-3-yl]azanide
CID 159332377
1-(3,3,3-trifluoropropyl)piperidin-4-amine;dihydrochloride
CID 90482882
4,4,4-trifluorobutylcyclopentane
CID 149313516
1-cyclohexyl-6,6,6-trifluorohexan-3-amine
CID 104992655
(1S,5R)-6-(2-methylprop-2-enyl)-3-(4,4,4-trifluorobutyl)-3-azabicyclo[3.1.0]hexane
CID 177148486
3-(2-bromoethyl)-1-(3,3,3-trifluoropropyl)pyrrolidine
CID 114800427
(3aS)-5-(2-cyclohexylethyl)-2-(2,2,2-trifluoroethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine
CID 145451253
3-(bromomethyl)-1-(4,4,4-trifluorobutyl)piperidine
CID 115518477

Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]azanide?
The IUPAC name of cyclohexylmethyl-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]azanide (CID 154495144) is cyclohexylmethyl-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]azanide.
What is the SMILES notation for cyclohexylmethyl-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]azanide?
The canonical SMILES for cyclohexylmethyl-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]azanide is FC(F)(F)CCN1CC2C(C[N-]CC3CCCCC3)C2C1.
What is the InChIKey of cyclohexylmethyl-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]azanide?
The InChIKey is DYKSUZFCJVYWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F3N2/c17-16(18,19)6-7-21-10-14-13(15(14)11-21)9-20-8-12-4-2-1-3-5-12/h12-15H,1-11H2/q-1.
What are the key properties of cyclohexylmethyl-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]azanide?
cyclohexylmethyl-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]azanide has a molecular weight of 303.39 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]azanide is sourced from PubChem (CID 154495144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).