ethane;5-fluoro-5-methyl-2-propan-2-yl-2-azabicyclo[2.2.0]hexane

C11H22FN — CID 171508934

IUPACethane;5-fluoro-5-methyl-2-propan-2-yl-2-azabicyclo[2.2.0]hexane
SMILESCC.CC(C)N1CC2C1CC2(C)F
InChIInChI=1S/C9H16FN.C2H6/c1-6(2)11-5-7-8(11)4-9(7,3)10;1-2/h6-8H,4-5H2,1-3H3;1-2H3
InChIKeyFARBHPPVBPRRHD-UHFFFAOYSA-N
MW187.30 g/mol
LogP2.85
Rot. Bonds1

About ethane;5-fluoro-5-methyl-2-propan-2-yl-2-azabicyclo[2.2.0]hexane

ethane;5-fluoro-5-methyl-2-propan-2-yl-2-azabicyclo[2.2.0]hexane (PubChem CID 171508934) has the molecular formula C11H22FN and a molecular weight of 187.30 g/mol. Its IUPAC name is ethane;5-fluoro-5-methyl-2-propan-2-yl-2-azabicyclo[2.2.0]hexane.

Molecular Properties

Compound Nameethane;5-fluoro-5-methyl-2-propan-2-yl-2-azabicyclo[2.2.0]hexane
PubChem CID171508934
Molecular FormulaC11H22FN
Molecular Weight187.30 g/mol
Exact Mass187.17
IUPAC Nameethane;5-fluoro-5-methyl-2-propan-2-yl-2-azabicyclo[2.2.0]hexane
SMILESCC.CC(C)N1CC2C1CC2(C)F
InChIInChI=1S/C9H16FN.C2H6/c1-6(2)11-5-7-8(11)4-9(7,3)10;1-2/h6-8H,4-5H2,1-3H3;1-2H3
InChIKeyFARBHPPVBPRRHD-UHFFFAOYSA-N
XLogP2.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.30
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 68067656
3-Fluoro-1-[(3-propan-2-ylcyclobutyl)methyl]azetidine
CID 68067663
1-(3-Fluorocyclobutyl)-4-methylpiperidine
CID 129267295
1-(3-Fluorocyclobutyl)-4-propan-2-ylpiperidine
CID 129267296
1-Cyclobutyl-3-fluoro-4-methylpiperidine
CID 130674980
1-(1-Fluoropropan-2-yl)-3-pentan-2-ylazetidine
CID 139394488
1-Cyclobutyl-4-fluoro-4-methylpiperidine
CID 145493504
(3R)-3-fluoro-1-(3-methylcyclobutyl)piperidine
CID 146552575
3-Fluoro-1-(3-methylcyclobutyl)piperidine
CID 153566847
1-(2-Fluoroethyl)-2-methyl-3-propan-2-ylpiperidine
CID 154952926
4-Fluoro-1,3-di(propan-2-yl)piperidine
CID 156799135
1-Cyclobutyl-3-fluoro-4-propan-2-ylpiperidine
CID 161879358

Frequently Asked Questions

What is the IUPAC name of ethane;5-fluoro-5-methyl-2-propan-2-yl-2-azabicyclo[2.2.0]hexane?
The IUPAC name of ethane;5-fluoro-5-methyl-2-propan-2-yl-2-azabicyclo[2.2.0]hexane (CID 171508934) is ethane;5-fluoro-5-methyl-2-propan-2-yl-2-azabicyclo[2.2.0]hexane.
What is the SMILES notation for ethane;5-fluoro-5-methyl-2-propan-2-yl-2-azabicyclo[2.2.0]hexane?
The canonical SMILES for ethane;5-fluoro-5-methyl-2-propan-2-yl-2-azabicyclo[2.2.0]hexane is CC.CC(C)N1CC2C1CC2(C)F.
What is the InChIKey of ethane;5-fluoro-5-methyl-2-propan-2-yl-2-azabicyclo[2.2.0]hexane?
The InChIKey is FARBHPPVBPRRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN.C2H6/c1-6(2)11-5-7-8(11)4-9(7,3)10;1-2/h6-8H,4-5H2,1-3H3;1-2H3.
What are the key properties of ethane;5-fluoro-5-methyl-2-propan-2-yl-2-azabicyclo[2.2.0]hexane?
ethane;5-fluoro-5-methyl-2-propan-2-yl-2-azabicyclo[2.2.0]hexane has a molecular weight of 187.30 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-fluoro-5-methyl-2-propan-2-yl-2-azabicyclo[2.2.0]hexane is sourced from PubChem (CID 171508934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).