1-(difluoromethyl)-2-ethyl-2-azabicyclo[2.1.1]hexane;ethane

C10H19F2N — CID 177005803

IUPAC1-(difluoromethyl)-2-ethyl-2-azabicyclo[2.1.1]hexane;ethane
SMILESCC.CCN1CC2CC1(C(F)F)C2
InChIInChI=1S/C8H13F2N.C2H6/c1-2-11-5-6-3-8(11,4-6)7(9)10;1-2/h6-7H,2-5H2,1H3;1-2H3
InChIKeyJXABWLDNSWINCQ-UHFFFAOYSA-N
MW191.26 g/mol
LogP2.76
Rot. Bonds2

About 1-(difluoromethyl)-2-ethyl-2-azabicyclo[2.1.1]hexane;ethane

1-(difluoromethyl)-2-ethyl-2-azabicyclo[2.1.1]hexane;ethane (PubChem CID 177005803) has the molecular formula C10H19F2N and a molecular weight of 191.26 g/mol. Its IUPAC name is 1-(difluoromethyl)-2-ethyl-2-azabicyclo[2.1.1]hexane;ethane.

Molecular Properties

Compound Name1-(difluoromethyl)-2-ethyl-2-azabicyclo[2.1.1]hexane;ethane
PubChem CID177005803
Molecular FormulaC10H19F2N
Molecular Weight191.26 g/mol
Exact Mass191.15
IUPAC Name1-(difluoromethyl)-2-ethyl-2-azabicyclo[2.1.1]hexane;ethane
SMILESCC.CCN1CC2CC1(C(F)F)C2
InChIInChI=1S/C8H13F2N.C2H6/c1-2-11-5-6-3-8(11,4-6)7(9)10;1-2/h6-7H,2-5H2,1H3;1-2H3
InChIKeyJXABWLDNSWINCQ-UHFFFAOYSA-N
XLogP2.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(difluoromethyl)-2-propyl-2-azabicyclo[2.1.1]hexane
CID 178026347
2-(2,2-difluoroethyl)-1-ethynyl-2-azabicyclo[2.1.1]hexane
CID 170782328
1,2-di(propan-2-yl)-2-azabicyclo[2.1.1]hexane
CID 58310329
(2-propyl-2-azabicyclo[2.1.1]hexan-1-yl)methanol
CID 139430120
(2R)-2-ethyl-1,1-difluorocyclopropane
CID 123881327
2-propyl-2-azabicyclo[2.1.1]hexane-1-carboxylic acid
CID 10932632
ethane;1-ethyl-3-fluoroazetidine
CID 145180834
1-(3-fluoropentyl)adamantane
CID 161365414
1,3-diethyl-2H-imidazole;fluoroform
CID 174507741
1-ethyltricyclo[2.2.1.02,6]heptane
CID 12951260
1-ethyl-2-fluoro-2-methyl-4-propan-2-ylpiperazine
CID 171505820
(2R,4S)-4-(difluoromethyl)-2-ethyl-1,2-dimethylpyrrolidine
CID 178101614

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-2-ethyl-2-azabicyclo[2.1.1]hexane;ethane?
The IUPAC name of 1-(difluoromethyl)-2-ethyl-2-azabicyclo[2.1.1]hexane;ethane (CID 177005803) is 1-(difluoromethyl)-2-ethyl-2-azabicyclo[2.1.1]hexane;ethane.
What is the SMILES notation for 1-(difluoromethyl)-2-ethyl-2-azabicyclo[2.1.1]hexane;ethane?
The canonical SMILES for 1-(difluoromethyl)-2-ethyl-2-azabicyclo[2.1.1]hexane;ethane is CC.CCN1CC2CC1(C(F)F)C2.
What is the InChIKey of 1-(difluoromethyl)-2-ethyl-2-azabicyclo[2.1.1]hexane;ethane?
The InChIKey is JXABWLDNSWINCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N.C2H6/c1-2-11-5-6-3-8(11,4-6)7(9)10;1-2/h6-7H,2-5H2,1H3;1-2H3.
What are the key properties of 1-(difluoromethyl)-2-ethyl-2-azabicyclo[2.1.1]hexane;ethane?
1-(difluoromethyl)-2-ethyl-2-azabicyclo[2.1.1]hexane;ethane has a molecular weight of 191.26 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-2-ethyl-2-azabicyclo[2.1.1]hexane;ethane is sourced from PubChem (CID 177005803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).