1-(difluoromethyl)-2-propyl-2-azabicyclo[2.1.1]hexane

C9H15F2N — CID 178026347

IUPAC1-(difluoromethyl)-2-propyl-2-azabicyclo[2.1.1]hexane
SMILESCCCN1CC2CC1(C(F)F)C2
InChIInChI=1S/C9H15F2N/c1-2-3-12-6-7-4-9(12,5-7)8(10)11/h7-8H,2-6H2,1H3
InChIKeyXCLHUYSKTFQMDP-UHFFFAOYSA-N
MW175.22 g/mol
LogP2.13
Rot. Bonds3

About 1-(difluoromethyl)-2-propyl-2-azabicyclo[2.1.1]hexane

1-(difluoromethyl)-2-propyl-2-azabicyclo[2.1.1]hexane (PubChem CID 178026347) has the molecular formula C9H15F2N and a molecular weight of 175.22 g/mol. Its IUPAC name is 1-(difluoromethyl)-2-propyl-2-azabicyclo[2.1.1]hexane.

Molecular Properties

Compound Name1-(difluoromethyl)-2-propyl-2-azabicyclo[2.1.1]hexane
PubChem CID178026347
Molecular FormulaC9H15F2N
Molecular Weight175.22 g/mol
Exact Mass175.12
IUPAC Name1-(difluoromethyl)-2-propyl-2-azabicyclo[2.1.1]hexane
SMILESCCCN1CC2CC1(C(F)F)C2
InChIInChI=1S/C9H15F2N/c1-2-3-12-6-7-4-9(12,5-7)8(10)11/h7-8H,2-6H2,1H3
InChIKeyXCLHUYSKTFQMDP-UHFFFAOYSA-N
XLogP2.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.22
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(difluoromethyl)-2-ethyl-2-azabicyclo[2.1.1]hexane;ethane
CID 177005803
(2-propyl-2-azabicyclo[2.1.1]hexan-1-yl)methanol
CID 139430120
2-propyl-2-azabicyclo[2.1.1]hexane-1-carboxylic acid
CID 10932632
(2S,3R,6R)-4-propyl-4-azaspiro[2.4]heptane-2,6-diol
CID 163743712
(2R,4S)-4-(difluoromethyl)-2-ethyl-1,2-dimethylpyrrolidine
CID 178101614
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
8-propan-2-yl-6-propyl-6,9-diazaspiro[4.5]decane
CID 64839855
4-fluoro-1,2-dimethyl-2-propylpyrrolidine
CID 170704706
5-butan-2-yl-2-ethyl-2-methyl-1-propylpiperazine
CID 64847681
(3S,4S)-3,4-dimethyl-1-propylpyrrolidine
CID 59055005
2,2-dimethyl-1-propylpiperidine-4-carbonitrile
CID 117020237

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-2-propyl-2-azabicyclo[2.1.1]hexane?
The IUPAC name of 1-(difluoromethyl)-2-propyl-2-azabicyclo[2.1.1]hexane (CID 178026347) is 1-(difluoromethyl)-2-propyl-2-azabicyclo[2.1.1]hexane.
What is the SMILES notation for 1-(difluoromethyl)-2-propyl-2-azabicyclo[2.1.1]hexane?
The canonical SMILES for 1-(difluoromethyl)-2-propyl-2-azabicyclo[2.1.1]hexane is CCCN1CC2CC1(C(F)F)C2.
What is the InChIKey of 1-(difluoromethyl)-2-propyl-2-azabicyclo[2.1.1]hexane?
The InChIKey is XCLHUYSKTFQMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N/c1-2-3-12-6-7-4-9(12,5-7)8(10)11/h7-8H,2-6H2,1H3.
What are the key properties of 1-(difluoromethyl)-2-propyl-2-azabicyclo[2.1.1]hexane?
1-(difluoromethyl)-2-propyl-2-azabicyclo[2.1.1]hexane has a molecular weight of 175.22 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-2-propyl-2-azabicyclo[2.1.1]hexane is sourced from PubChem (CID 178026347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).